[4-[[(4-butylphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [4-[[(4-butylphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-[(4-butylanilino)methylene]-3-oxo-cyclohexa-1,5-dien-1-yl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-[(4-butylanilino)methylidene]-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [4-[(4-butylanilino)methylidene]-3-oxocyclohexa-1,5-dien-1-yl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[(4-butylanilino)methylene]-3-keto-cyclohexa-1,5-dien-1-yl] ester Formula: C31H43NO3 MolecularWeight: 477.67802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=O)C(=CNC3=CC=C(C=C3)CCCC)C=C2

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=O)C(=CNC3=CC=C(C=C3)CCCC)C=C2

InChI

InChI=1S/C31H43NO3/c1-3-5-7-8-9-11-25-12-16-26(17-13-25)31(34)35-29-21-18-27(30(33)22-29)23-32-28-19-14-24(15-20-28)10-6-4-2/h14-15,18-23,25-26,32H,3-13,16-17H2,1-2H3