4-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-1-ethanoyl-3,5-dimethyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]-1-ethanoyl-3,5-dimethyl-pyrrole-2-carboxylic acid Openeye Name: 1-acetyl-4-(3-benzyl-2-imino-benzimidazol-1-yl)-3,5-dimethyl-pyrrole-2-carboxylic acid CAS Name: 1-acetyl-4-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]-3,5-dimethyl-2-pyrrolecarboxylic acid IUPAC Name: 1-acetyl-4-(3-benzyl-2-iminobenzimidazol-1-yl)-3,5-dimethylpyrrole-2-carboxylic acid Traditional Name: 1-acetyl-4-(3-benzyl-2-imino-benzimidazol-1-yl)-3,5-dimethyl-pyrrole-2-carboxylic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1N2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)C)C(=O)C)C(=O)O

Isomeric SMILES

CC1=C(N(C(=C1N2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)C)C(=O)C)C(=O)O

InChI

InChI=1S/C23H22N4O3/c1-14-20(15(2)26(16(3)28)21(14)22(29)30)27-19-12-8-7-11-18(19)25(23(27)24)13-17-9-5-4-6-10-17/h4-12,24H,13H2,1-3H3,(H,29,30)