[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCC2)OCC

InChI

InChI=1S/C19H27NO5/c1-3-23-16-10-9-15(13-17(16)24-4-2)19(22)25-14-18(21)20-11-7-5-6-8-12-20/h9-10,13H,3-8,11-12,14H2,1-2H3