[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methoxy-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-21-12-6-7-14(18)13(10-12)16(20)22-11-15(19)17-8-4-2-3-5-9-17/h6-7,10,18H,2-5,8-9,11H2,1H3