[2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-3-oxidanylidene-5-(2,4,6-trimethylphenyl)cyclohexen-1-yl] benzoate

Systemtic Name: [2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-3-oxidanylidene-5-(2,4,6-trimethylphenyl)cyclohexen-1-yl] benzoate Openeye Name: [2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-3-oxo-5-(2,4,6-trimethylphenyl)cyclohexen-1-yl] benzoate CAS Name: benzoic acid [2-[(1Z)-1-ethoxyiminopropyl]-3-oxo-5-(2,4,6-trimethylphenyl)-1-cyclohexenyl] ester IUPAC Name: [2-[(Z)-N-ethoxy-C-ethylcarbonimidoyl]-3-oxo-5-(2,4,6-trimethylphenyl)cyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-[(Z)-N-ethoxy-C-ethyl-carbonimidoyl]-3-keto-5-mesityl-cyclohexen-1-yl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOCC)C1=C(CC(CC1=O)C2=C(C=C(C=C2C)C)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC/C(=N/OCC)/C1=C(CC(CC1=O)C2=C(C=C(C=C2C)C)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO4/c1-6-22(28-31-7-2)26-23(29)15-21(25-18(4)13-17(3)14-19(25)5)16-24(26)32-27(30)20-11-9-8-10-12-20/h8-14,21H,6-7,15-16H2,1-5H3/b28-22-