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

Systemtic Name: [2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-5-(oxan-3-yl)-3-oxidanylidene-cyclohexen-1-yl] benzoate Openeye Name: [2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-oxo-5-tetrahydropyran-3-yl-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [2-[(1Z)-1-ethoxyiminobutyl]-5-(3-oxanyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[(Z)-N-ethoxy-C-propylcarbonimidoyl]-5-(oxan-3-yl)-3-oxocyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-keto-5-tetrahydropyran-3-yl-cyclohexen-1-yl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC)C1=C(CC(CC1=O)C2CCCOC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC/C(=N/OCC)/C1=C(CC(CC1=O)C2CCCOC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H31NO5/c1-3-9-20(25-29-4-2)23-21(26)14-19(18-12-8-13-28-16-18)15-22(23)30-24(27)17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3/b25-20-