[4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl] benzoate

Systemtic Name: [4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexen-1-yl] benzoate Openeye Name: [2-(benzylamino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenyl] ester IUPAC Name: [2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-(benzylamino)-6-keto-4,4-dimethyl-cyclohexen-1-yl] ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)OC(=O)C2=CC=CC=C2)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)OC(=O)C2=CC=CC=C2)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23NO3/c1-22(2)13-18(23-15-16-9-5-3-6-10-16)20(19(24)14-22)26-21(25)17-11-7-4-8-12-17/h3-12,23H,13-15H2,1-2H3