2-[4-[[(5E)-7-methyl-5-(3-methyl-1H-benzimidazol-2-ylidene)-6-oxidanylidene-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(5E)-7-methyl-5-(3-methyl-1H-benzimidazol-2-ylidene)-6-oxidanylidene-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(5E)-7-methyl-5-(3-methyl-1H-benzimidazol-2-ylidene)-6-oxo-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(5E)-7-methyl-5-(3-methyl-1H-benzimidazol-2-ylidene)-6-oxo-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(5E)-7-methyl-5-(3-methyl-1H-benzimidazol-2-ylidene)-6-oxo-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(5E)-6-keto-7-methyl-5-(3-methyl-1H-benzimidazol-2-ylidene)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C33H30N4O3 MolecularWeight: 530.6163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC(=C3NC4=CC=CC=C4N3C)C(=O)C(=C2N1CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O)C

Isomeric SMILES

CCCC1=NC2=C/C(=C\3/NC4=CC=CC=C4N3C)/C(=O)C(=C2N1CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O)C

InChI

InChI=1S/C33H30N4O3/c1-4-9-29-34-27-18-25(32-35-26-12-7-8-13-28(26)36(32)3)31(38)20(2)30(27)37(29)19-21-14-16-22(17-15-21)23-10-5-6-11-24(23)33(39)40/h5-8,10-18,35H,4,9,19H2,1-3H3,(H,39,40)/b32-25+