[5-(dimethylcarbamoyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxidanylidene-cyclohexen-1-yl] benzoate

Systemtic Name: [5-(dimethylcarbamoyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxidanylidene-cyclohexen-1-yl] benzoate Openeye Name: [5-(dimethylcarbamoyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [5-[dimethylamino(oxo)methyl]-2-[(1Z)-1-ethoxyiminobutyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(dimethylcarbamoyl)-2-[(Z)-N-ethoxy-C-propylcarbonimidoyl]-3-oxocyclohexen-1-yl] benzoate Traditional Name: benzoic acid [5-(dimethylcarbamoyl)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-keto-cyclohexen-1-yl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC)C1=C(CC(CC1=O)C(=O)N(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-5-10-17(23-28-6-2)20-18(25)13-16(21(26)24(3)4)14-19(20)29-22(27)15-11-8-7-9-12-15/h7-9,11-12,16H,5-6,10,13-14H2,1-4H3/b23-17-