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

Systemtic Name: [(4Z)-4-[[(4-cyclopentylphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] octadecanoate Openeye Name: [(4Z)-4-[(4-cyclopentylanilino)methylene]-3-oxo-cyclohexa-1,5-dien-1-yl] octadecanoate CAS Name: octadecanoic 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] octadecanoate Traditional Name: stearic acid [(4Z)-4-[(4-cyclopentylanilino)methylene]-3-keto-cyclohexa-1,5-dien-1-yl] ester Formula: C36H48NO3 MolecularWeight: 542.77122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H48NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-36(39)40-34-27-24-32(35(38)28-34)29-37-33-25-22-31(23-26-33)30-19-17-18-20-30/h17-20,22-29,37H,2-16,21H2,1H3/b32-29-