[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H23NO3/c1-2-14-7-9-15(10-8-14)17(20)21-13-16(19)18-11-5-3-4-6-12-18/h7-10H,2-6,11-13H2,1H3