1H-Indole-5-carboxylic acid, 2-[3-cyano-4-oxo-4-(phenylmethoxy)-2-buten-1-ylidene]-2,3-dihydro-1,3,3-trimethyl-, methyl ester
Basic information
- CAS
7044-02-2- Standard SMILES
COC(=O)c1ccc2c(c1)C(C)(C)/C(=C\C=C(/C#N)C(=O)OCc1ccccc1)N2C- InChIKey
CMZXMMGJBKMTFM-YCHSJLLCSA-N- Molecular formula
- C25H24N2O4
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.17360725
Names & identifiers
- Preferred name
- 1H-Indole-5-carboxylic acid, 2-[3-cyano-4-oxo-4-(phenylmethoxy)-2-buten-1-ylidene]-2,3-dihydro-1,3,3-trimethyl-, methyl ester
- IUPAC
- methyl (2E)-2-[(E)-3-cyano-4-oxo-4-phenylmethoxybut-2-enylidene]-1,3,3-trimethylindole-5-carboxylate
Names & synonyms
EINECS 230-321-37044-02-21H-Indole-5-carboxylic acid, 2-(3-cyano-4-oxo-4-(phenylmethoxy)-2-buten-1-ylidene)-2,3-dihydro-1,3,3-trimethyl-, methyl ester1H-Indole-5-carboxylic acid, 2-[3-cyano-4-oxo-4-(phenylmethoxy)-2-buten-1-ylidene]-2,3-dihydro-1,3,3-trimethyl-, methyl esterRefChem:2391591H-Indole-5-carboxylic acid, 2-(3-cyano-4-oxo-4-(phenylmethoxy)-2-butenylidene)-2,3-dihydro-1,3,3-trimethyl-, methyl esterMethyl 2-(3-cyano-4-oxo-4-(phenylmethoxy)but-2-enylidene)-2,3-dihydro-1,3,3-trimethyl-1H-indole-5-carboxylate
Database identifiers
- CAS
7044-02-2- PubChem CID
- 6437589
- EC Number
- 230-321-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 798
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indole-5-carboxylic acid, 2-[3-cyano-4-oxo-4-(phenylmethoxy)-2-buten-1-ylidene]-2,3-dihydro-1,3,3-trimethyl-, methyl ester: INACTIVE
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