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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)N2CCCCCC2

InChI

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