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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(=O)CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(N1C(=O)CN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C23H22N4O3/c1-15-12-16(2)27(21(15)22(29)30)20(28)14-26-19-11-7-6-10-18(19)25(23(26)24)13-17-8-4-3-5-9-17/h3-12,24H,13-14H2,1-2H3,(H,29,30)