4-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)carbonylamino]-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)carbonylamino]-3,5-dimethyl-benzoic acid Openeye Name: 4-[(2-cyclopropyl-7-methoxy-1H-benzimidazole-4-carbonyl)amino]-3,5-dimethyl-benzoic acid CAS Name: 4-[[(2-cyclopropyl-7-methoxy-1H-benzimidazol-4-yl)-oxomethyl]amino]-3,5-dimethylbenzoic acid IUPAC Name: 4-[(2-cyclopropyl-7-methoxy-1H-benzimidazole-4-carbonyl)amino]-3,5-dimethylbenzoic acid Traditional Name: 4-[(2-cyclopropyl-7-methoxy-1H-benzimidazole-4-carbonyl)amino]-3,5-dimethyl-benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2=C3C(=C(C=C2)OC)NC(=N3)C4CC4)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2=C3C(=C(C=C2)OC)NC(=N3)C4CC4)C)C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-10-8-13(21(26)27)9-11(2)16(10)24-20(25)14-6-7-15(28-3)18-17(14)22-19(23-18)12-4-5-12/h6-9,12H,4-5H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)