3-[5-[(3,4-dimethylphenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(3,4-dimethylphenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(3,4-dimethylphenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[(3,4-dimethylanilino)-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(3,4-dimethylphenyl)carbamoylamino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(3,4-dimethylphenyl)carbamoylamino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4O3/c1-16-8-9-19(12-17(16)2)27-25(32)28-20-10-11-22-21(13-20)26-15-29(22)23(14-24(30)31)18-6-4-3-5-7-18/h3-13,15,23H,14H2,1-2H3,(H,30,31)(H2,27,28,32)