[(4Z)-4-[[(4-cyclopentylphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] hexadecanoate

Systemtic Name: [(4Z)-4-[[(4-cyclopentylphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] hexadecanoate Openeye Name: [(4Z)-4-[(4-cyclopentylanilino)methylene]-3-oxo-cyclohexa-1,5-dien-1-yl] hexadecanoate CAS Name: hexadecanoic acid [(4Z)-4-[(4-cyclopentylanilino)methylidene]-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [(4Z)-4-[(4-cyclopentylanilino)methylidene]-3-oxocyclohexa-1,5-dien-1-yl] hexadecanoate Traditional Name: palmitic acid [(4Z)-4-[(4-cyclopentylanilino)methylene]-3-keto-cyclohexa-1,5-dien-1-yl] ester Formula: C34H44NO3 MolecularWeight: 514.71806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)C(=CNC2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)/C(=C\NC2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3)/C=C1

InChI

InChI=1S/C34H44NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-34(37)38-32-25-22-30(33(36)26-32)27-35-31-23-20-29(21-24-31)28-17-15-16-18-28/h15-18,20-27,35H,2-14,19H2,1H3/b30-27-