3-[6-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[6-[(4-methyl-2-oxidanyl-phenyl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[(2-hydroxy-4-methyl-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[[(2-hydroxy-4-methylphenyl)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[(2-hydroxy-4-methylbenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[(2-hydroxy-4-methyl-benzoyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=CN3C(CC(=O)O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=CN3C(CC(=O)O)C4=CC=CC=C4)O

InChI

InChI=1S/C24H21N3O4/c1-15-7-9-18(22(28)11-15)24(31)26-17-8-10-19-21(12-17)27(14-25-19)20(13-23(29)30)16-5-3-2-4-6-16/h2-12,14,20,28H,13H2,1H3,(H,26,31)(H,29,30)