8-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4,5-diphenyl-1H-imidazol-3-yl]octanoic acid

Systemtic Name: 8-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4,5-diphenyl-1H-imidazol-3-yl]octanoic acid Openeye Name: 8-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-4,5-diphenyl-1H-imidazol-3-yl]octanoic acid CAS Name: 8-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-4,5-diphenyl-1H-imidazol-3-yl]octanoic acid IUPAC Name: 8-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-4,5-diphenyl-1H-imidazol-3-yl]octanoic acid Traditional Name: 8-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-4,5-diphenyl-4-imidazolin-1-yl]caprylic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=C3C=CC(=O)C=C3)N2)CCCCCCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=C3C=CC(=O)C=C3)N2)CCCCCCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c32-25-19-17-24(18-20-25)29-30-27(22-12-6-4-7-13-22)28(23-14-8-5-9-15-23)31(29)21-11-3-1-2-10-16-26(33)34/h4-9,12-15,17-20,30H,1-3,10-11,16,21H2,(H,33,34)