1-cyclohexyl-2-[2-[2-phenyl-5-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-[2-phenyl-5-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-[2-phenyl-5-(3-pyrrolidin-1-ylpropoxy)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-[2-phenyl-5-[3-(1-pyrrolidinyl)propoxy]phenyl]-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-[2-phenyl-5-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-[2-phenyl-5-(3-pyrrolidinopropoxy)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C42H42N4O3 MolecularWeight: 650.80788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=CC(=C6)OCCCN7CCCC7)C8=CC=CC=C8

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=C(C=CC(=C6)OCCCN7CCCC7)C8=CC=CC=C8

InChI

InChI=1S/C42H42N4O3/c47-42(48)32-16-21-40-39(27-32)44-41(46(40)33-12-5-2-6-13-33)31-15-19-37-30(26-31)14-20-38(43-37)36-28-34(49-25-9-24-45-22-7-8-23-45)17-18-35(36)29-10-3-1-4-11-29/h1,3-4,10-11,14-21,26-28,33H,2,5-9,12-13,22-25H2,(H,47,48)