5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-
Basic information
- CAS
69898-61-9- Standard SMILES
CCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cc(C(=O)O)ccc21- InChIKey
ZVCONXWQMXMVHR-UHFFFAOYSA-N- Molecular formula
- C32H34N2O5
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.24677219
Names & identifiers
- Preferred name
- 5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-
- IUPAC
- 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-3-oxo-2-benzofuran-5-carboxylic acid
- English name
- 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylic acid
- Molecular formula
- C32H34N2O5
- Molecular weight
- 526.62
Names & synonyms
EINECS 274-202-45-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-DTXSID108875213-(2-Ethoxy-4-(diethylamino)phenyl)-3-(1-ethyl-2-methylindol-3-yl)-1,3-dihydro-1-oxo-6-isobenzofurancarboxylic acid5-Isobenzofurancarboxylic acid, 1-(4-(diethylamino)-2-ethoxyphenyl)-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-RefChem:536436DTXCID10102681269898-61-91-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1h-indol-3-yl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acidZVCONXWQMXMVHR-UHFFFAOYSA-N1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1h-indol-3-yl)-1,3-dihydro-3-oxoisobenzo[b]furan-5-carboxylic acidNS00061519
Show more names
1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-3-oxo-2-benzofuran-5-carboxylic acid1-[4-(Diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-5-isobenzofurancarboxylic acid
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 879
Physicochemical properties
- EPA Substance Registry System
- 5 · 5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo- (69898-61-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Isobenzofurancarboxylic acid, 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxo-: INACTIVE
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