2-[3-[(6-chloranylpyridin-3-yl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-[(6-chloranylpyridin-3-yl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[(6-chloro-3-pyridyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[(6-chloro-3-pyridinyl)amino]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[(6-chloropyridin-3-yl)carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(6-chloro-3-pyridyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C26H23ClN4O3 MolecularWeight: 474.93882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=CN=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)NC5=CN=C(C=C5)Cl

InChI

InChI=1S/C26H23ClN4O3/c27-23-12-10-19(15-28-23)29-25(32)17-6-4-5-16(13-17)24-30-21-14-18(26(33)34)9-11-22(21)31(24)20-7-2-1-3-8-20/h4-6,9-15,20H,1-3,7-8H2,(H,29,32)(H,33,34)