3-methylpentyl (4E)-4-[[(4-octylphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 3-methylpentyl (4E)-4-[[(4-octylphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 3-methylpentyl (4E)-4-[(4-octylanilino)methylene]-3-oxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: (4E)-4-[(4-octylanilino)methylidene]-3-oxo-1-cyclohexa-1,5-dienecarboxylic acid 3-methylpentyl ester IUPAC Name: 3-methylpentyl (4E)-4-[(4-octylanilino)methylidene]-3-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: (4E)-3-keto-4-[(4-octylanilino)methylene]cyclohexa-1,5-diene-1-carboxylic acid 3-methylpentyl ester Formula: C28H39NO3 MolecularWeight: 437.61416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC=C2C=CC(=CC2=O)C(=O)OCCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N/C=C/2\C=CC(=CC2=O)C(=O)OCCC(C)CC

InChI

InChI=1S/C28H39NO3/c1-4-6-7-8-9-10-11-23-12-16-26(17-13-23)29-21-25-15-14-24(20-27(25)30)28(31)32-19-18-22(3)5-2/h12-17,20-22,29H,4-11,18-19H2,1-3H3/b25-21+