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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO3/c1-13-7-6-8-14(11-13)16(19)20-12-15(18)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3