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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C17H23NO5/c1-21-14-8-7-13(11-15(14)22-2)17(20)23-12-16(19)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3