4-[3-[3-(1H-benzimidazol-2-ylcarbonyl)-2-ethyl-3-phenyl-2-piperidin-1-yl-pyrrolidin-1-yl]propoxy]benzoic acid

Systemtic Name: 4-[3-[3-(1H-benzimidazol-2-ylcarbonyl)-2-ethyl-3-phenyl-2-piperidin-1-yl-pyrrolidin-1-yl]propoxy]benzoic acid Openeye Name: 4-[3-[3-(1H-benzimidazole-2-carbonyl)-2-ethyl-3-phenyl-2-(1-piperidyl)pyrrolidin-1-yl]propoxy]benzoic acid CAS Name: 4-[3-[3-[1H-benzimidazol-2-yl(oxo)methyl]-2-ethyl-3-phenyl-2-(1-piperidinyl)-1-pyrrolidinyl]propoxy]benzoic acid IUPAC Name: 4-[3-[3-(1H-benzimidazole-2-carbonyl)-2-ethyl-3-phenyl-2-piperidin-1-ylpyrrolidin-1-yl]propoxy]benzoic acid Traditional Name: 4-[3-[3-(1H-benzimidazole-2-carbonyl)-2-ethyl-3-phenyl-2-piperidino-pyrrolidino]propoxy]benzoic acid Formula: C35H40N4O4 MolecularWeight: 580.7165

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CCN1CCCOC2=CC=C(C=C2)C(=O)O)(C3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5N4)N6CCCCC6

Isomeric SMILES

CCC1(C(CCN1CCCOC2=CC=C(C=C2)C(=O)O)(C3=CC=CC=C3)C(=O)C4=NC5=CC=CC=C5N4)N6CCCCC6

InChI

InChI=1S/C35H40N4O4/c1-2-35(38-21-9-4-10-22-38)34(27-12-5-3-6-13-27,31(40)32-36-29-14-7-8-15-30(29)37-32)20-24-39(35)23-11-25-43-28-18-16-26(17-19-28)33(41)42/h3,5-8,12-19H,2,4,9-11,20-25H2,1H3,(H,36,37)(H,41,42)