Carbanilic acid, 3,4,5-trimethoxy-, 4-pyridylmethyl ester
Basic information
- CAS
5034-56-0- Standard SMILES
COc1cc(NC(=O)OCc2ccncc2)cc(OC)c1OC- InChIKey
GFRLEAUMKZTOGL-UHFFFAOYSA-N- Molecular formula
- C16H18N2O5
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.12157168
Names & identifiers
- Preferred name
- Carbanilic acid, 3,4,5-trimethoxy-, 4-pyridylmethyl ester
- IUPAC
- pyridin-4-ylmethyl N-(3,4,5-trimethoxyphenyl)carbamate
- English name
- 3,4,5-Trimethoxycarbanilic acid 4-pyridylmethyl ester
- Molecular formula
- C16H18N2O5
- Molecular weight
- 318.32
Names & synonyms
BRN 15043335034-56-0CARBANILIC ACID, 3,4,5-TRIMETHOXY-, 4-PYRIDYLMETHYL ESTER3,4,5-Trimethoxycarbanilic acid 4-pyridylmethyl esterDTXSID50198380RefChem:332954DTXCID80120871(Pyridin-4-yl)methyl (3,4,5-trimethoxyphenyl)carbamate3,4,5-Trimethoxyphenylcarbamic acid 4-pyridylmethyl esterCarbanilic acid, 3,4,5-trimethoxy-, 4-pyridylmethyl ester (7CI,8CI)
Database identifiers
- CAS
5034-56-0- PubChem CID
- 21128
- DTXSID
DTXSID50198380- Nikkaji
- J68.113J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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