2-[2-[(4-methylphenyl)amino]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-methylphenyl)amino]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(4-methylanilino)benzimidazol-1-yl]acetic acid CAS Name: 2-[2-(4-methylanilino)-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(4-methylanilino)benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-(p-toluidino)benzimidazol-1-yl]acetic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)17-16-18-13-4-2-3-5-14(13)19(16)10-15(20)21/h2-9H,10H2,1H3,(H,17,18)(H,20,21)