4-[[2-[1-(1-ethyl-3-phenyl-pyrrolidin-2-yl)piperidin-2-yl]carbonylbenzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-[1-(1-ethyl-3-phenyl-pyrrolidin-2-yl)piperidin-2-yl]carbonylbenzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[1-(1-ethyl-3-phenyl-pyrrolidin-2-yl)piperidine-2-carbonyl]benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[[1-(1-ethyl-3-phenyl-2-pyrrolidinyl)-2-piperidinyl]-oxomethyl]-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-[1-(1-ethyl-3-phenylpyrrolidin-2-yl)piperidine-2-carbonyl]benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[1-(1-ethyl-3-phenyl-pyrrolidin-2-yl)pipecoloyl]benzimidazol-1-yl]methyl]benzoic acid Formula: C33H36N4O3 MolecularWeight: 536.66394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C1N2CCCCC2C(=O)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CCN1CCC(C1N2CCCCC2C(=O)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C33H36N4O3/c1-2-35-21-19-26(24-10-4-3-5-11-24)32(35)36-20-9-8-14-29(36)30(38)31-34-27-12-6-7-13-28(27)37(31)22-23-15-17-25(18-16-23)33(39)40/h3-7,10-13,15-18,26,29,32H,2,8-9,14,19-22H2,1H3,(H,39,40)