2-[4-[[2-(4-chlorophenyl)-5-(4-oxidanylpiperidin-1-yl)carbonyl-phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-[[2-(4-chlorophenyl)-5-(4-oxidanylpiperidin-1-yl)carbonyl-phenyl]methoxy]-2-fluoranyl-phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-[[2-(4-chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluoro-phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-[[2-(4-chlorophenyl)-5-[(4-hydroxy-1-piperidinyl)-oxomethyl]phenyl]methoxy]-2-fluorophenyl]-1-cyclopentyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-[[2-(4-chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-[2-(4-chlorophenyl)-5-(4-hydroxypiperidine-1-carbonyl)benzyl]oxy-2-fluoro-phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Formula: C38H35ClFN3O5 MolecularWeight: 668.153003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=C(C=CC(=C5)C(=O)N6CCC(CC6)O)C7=CC=C(C=C7)Cl)F

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=C(C=CC(=C5)C(=O)N6CCC(CC6)O)C7=CC=C(C=C7)Cl)F

InChI

InChI=1S/C38H35ClFN3O5/c39-27-9-5-23(6-10-27)31-12-7-24(37(45)42-17-15-29(44)16-18-42)19-26(31)22-48-30-11-13-32(33(40)21-30)36-41-34-20-25(38(46)47)8-14-35(34)43(36)28-3-1-2-4-28/h5-14,19-21,28-29,44H,1-4,15-18,22H2,(H,46,47)