2-(4-chlorophenyl)-4-phenyl-6-[(3-pyrrolidin-1-ylcarbonylphenyl)methoxy]-1-(thian-4-yl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-4-phenyl-6-[(3-pyrrolidin-1-ylcarbonylphenyl)methoxy]-1-(thian-4-yl)benzimidazole-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-4-phenyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1-tetrahydrothiopyran-4-yl-benzimidazole-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-6-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methoxy]-4-phenyl-1-(4-thianyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-phenyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1-(thian-4-yl)benzimidazole-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-4-phenyl-6-[3-(pyrrolidine-1-carbonyl)benzyl]oxy-1-tetrahydrothiopyran-4-yl-benzimidazole-5-carboxylic acid Formula: C37H34ClN3O4S MolecularWeight: 652.20156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)COC3=C(C(=C4C(=C3)N(C(=N4)C5=CC=C(C=C5)Cl)C6CCSCC6)C7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)COC3=C(C(=C4C(=C3)N(C(=N4)C5=CC=C(C=C5)Cl)C6CCSCC6)C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C37H34ClN3O4S/c38-28-13-11-26(12-14-28)35-39-34-30(41(35)29-15-19-46-20-16-29)22-31(33(37(43)44)32(34)25-8-2-1-3-9-25)45-23-24-7-6-10-27(21-24)36(42)40-17-4-5-18-40/h1-3,6-14,21-22,29H,4-5,15-20,23H2,(H,43,44)