2-methylpropyl 4-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: 2-methylpropyl 4-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: isobutyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[5-amino-4-(1H-benzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[2-amino-3-(1H-benzimidazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzoic acid isobutyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N4O3/c1-13(2)12-29-22(28)14-7-9-15(10-8-14)26-11-18(27)19(20(26)23)21-24-16-5-3-4-6-17(16)25-21/h3-10,13H,11-12,23H2,1-2H3,(H,24,25)