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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-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(=C(C=C1)C(=O)OCC(=O)N2CCCCCC2)C

Isomeric SMILES

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

InChI

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