[4-[[(4-butoxyphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 4-octoxybenzoate

Systemtic Name: [4-[[(4-butoxyphenyl)amino]methylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] 4-octoxybenzoate Openeye Name: [4-[(4-butoxyanilino)methylene]-3-oxo-cyclohexa-1,5-dien-1-yl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[(4-butoxyanilino)methylidene]-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [4-[(4-butoxyanilino)methylidene]-3-oxocyclohexa-1,5-dien-1-yl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[(4-butoxyanilino)methylene]-3-keto-cyclohexa-1,5-dien-1-yl] ester Formula: C32H39NO5 MolecularWeight: 517.65576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(=CNC3=CC=C(C=C3)OCCCC)C=C2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(=CNC3=CC=C(C=C3)OCCCC)C=C2

InChI

InChI=1S/C32H39NO5/c1-3-5-7-8-9-10-22-37-28-16-11-25(12-17-28)32(35)38-30-18-13-26(31(34)23-30)24-33-27-14-19-29(20-15-27)36-21-6-4-2/h11-20,23-24,33H,3-10,21-22H2,1-2H3