1-cyclohexyl-2-[2-[2-(4-nitrophenyl)-5-pyrrolidin-1-ylcarbonyl-phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[2-[2-(4-nitrophenyl)-5-pyrrolidin-1-ylcarbonyl-phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-[2-(4-nitrophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-[2-(4-nitrophenyl)-5-[oxo(1-pyrrolidinyl)methyl]phenyl]-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-[2-(4-nitrophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-[2-(4-nitrophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C40H35N5O5 MolecularWeight: 665.7364

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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)C(=O)N7CCCC7)C8=CC=C(C=C8)[N+](=O)[O-]

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)C(=O)N7CCCC7)C8=CC=C(C=C8)[N+](=O)[O-]

InChI

InChI=1S/C40H35N5O5/c46-39(43-20-4-5-21-43)28-10-16-32(25-8-14-31(15-9-25)45(49)50)33(23-28)35-18-11-26-22-27(12-17-34(26)41-35)38-42-36-24-29(40(47)48)13-19-37(36)44(38)30-6-2-1-3-7-30/h8-19,22-24,30H,1-7,20-21H2,(H,47,48)