[5,5-dimethyl-3-oxidanylidene-2-[(Z)-C-propyl-N-prop-2-ynoxy-carbonimidoyl]cyclohexen-1-yl] 4-methylbenzoate

Systemtic Name: [5,5-dimethyl-3-oxidanylidene-2-[(Z)-C-propyl-N-prop-2-ynoxy-carbonimidoyl]cyclohexen-1-yl] 4-methylbenzoate Openeye Name: [5,5-dimethyl-3-oxo-2-[(Z)-C-propyl-N-prop-2-ynoxy-carbonimidoyl]cyclohexen-1-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5,5-dimethyl-3-oxo-2-[(1Z)-1-prop-2-ynoxyiminobutyl]-1-cyclohexenyl] ester IUPAC Name: [5,5-dimethyl-3-oxo-2-[(Z)-C-propyl-N-prop-2-ynoxycarbonimidoyl]cyclohexen-1-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-keto-5,5-dimethyl-2-[(Z)-N-propargyloxy-C-propyl-carbonimidoyl]cyclohexen-1-yl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-6-8-18(24-27-13-7-2)21-19(25)14-23(4,5)15-20(21)28-22(26)17-11-9-16(3)10-12-17/h2,9-12H,6,8,13-15H2,1,3-5H3/b24-18-