2-[[4-(1H-benzimidazol-4-ylcarbonylamino)-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-benzoic acid

Systemtic Name: 2-[[4-(1H-benzimidazol-4-ylcarbonylamino)-3-methoxy-phenyl]carbonyl-methyl-amino]-5-methyl-benzoic acid Openeye Name: 2-[[4-(1H-benzimidazole-4-carbonylamino)-3-methoxy-benzoyl]-methyl-amino]-5-methyl-benzoic acid CAS Name: 2-[[[4-[[1H-benzimidazol-4-yl(oxo)methyl]amino]-3-methoxyphenyl]-oxomethyl]-methylamino]-5-methylbenzoic acid IUPAC Name: 2-[[4-(1H-benzimidazole-4-carbonylamino)-3-methoxybenzoyl]-methylamino]-5-methylbenzoic acid Traditional Name: 2-[[4-(1H-benzimidazole-4-carbonylamino)-3-methoxy-benzoyl]-methyl-amino]-5-methyl-benzoic acid Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC=N4)OC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC=N4)OC)C(=O)O

InChI

InChI=1S/C25H22N4O5/c1-14-7-10-20(17(11-14)25(32)33)29(2)24(31)15-8-9-18(21(12-15)34-3)28-23(30)16-5-4-6-19-22(16)27-13-26-19/h4-13H,1-3H3,(H,26,27)(H,28,30)(H,32,33)