4-[[5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-2-propyl-4-pyrrol-1-yl-imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-2-propyl-4-pyrrol-1-yl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[(E)-(2-oxoindolin-3-ylidene)methyl]-2-propyl-4-pyrrol-1-yl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-2-propyl-4-(1-pyrrolyl)-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-2-propyl-4-pyrrol-1-ylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[(E)-(2-ketoindolin-3-ylidene)methyl]-2-propyl-4-pyrrol-1-yl-imidazol-1-yl]methyl]benzoic acid Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)O)C=C3C4=CC=CC=C4NC3=O)N5C=CC=C5

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C/3\C4=CC=CC=C4NC3=O)N5C=CC=C5

InChI

InChI=1S/C27H24N4O3/c1-2-7-24-29-25(30-14-5-6-15-30)23(16-21-20-8-3-4-9-22(20)28-26(21)32)31(24)17-18-10-12-19(13-11-18)27(33)34/h3-6,8-16H,2,7,17H2,1H3,(H,28,32)(H,33,34)/b21-16+