3-[5-azanyl-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[5-azanyl-4-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-4-methyl-benzoic acid Openeye Name: 3-[5-amino-4-(1-methylbenzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-4-methyl-benzoic acid CAS Name: 3-[5-amino-4-(1-methyl-2-benzimidazolyl)-3-oxo-2H-pyrrol-1-yl]-4-methylbenzoic acid IUPAC Name: 3-[5-amino-4-(1-methylbenzimidazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-4-methylbenzoic acid Traditional Name: 3-[2-amino-4-keto-3-(1-methylbenzimidazol-2-yl)-2-pyrrolin-1-yl]-4-methyl-benzoic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C20H18N4O3/c1-11-7-8-12(20(26)27)9-15(11)24-10-16(25)17(18(24)21)19-22-13-5-3-4-6-14(13)23(19)2/h3-9H,10,21H2,1-2H3,(H,26,27)