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

Systemtic Name: 1-cyclohexyl-2-[2-[5-(2-dimethylaminoethylcarbamoyl)-2-phenyl-phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[2-[5-(2-dimethylaminoethylcarbamoyl)-2-phenyl-phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[2-[5-[(2-dimethylaminoethylamino)-oxomethyl]-2-phenylphenyl]-6-quinolinyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[2-[5-(2-dimethylaminoethylcarbamoyl)-2-phenylphenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[2-[5-(2-dimethylaminoethylcarbamoyl)-2-phenyl-phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid Formula: C40H39N5O3 MolecularWeight: 637.76936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C(=O)O

InChI

InChI=1S/C40H39N5O3/c1-44(2)22-21-41-39(46)29-13-17-32(26-9-5-3-6-10-26)33(24-29)35-19-14-27-23-28(15-18-34(27)42-35)38-43-36-25-30(40(47)48)16-20-37(36)45(38)31-11-7-4-8-12-31/h3,5-6,9-10,13-20,23-25,31H,4,7-8,11-12,21-22H2,1-2H3,(H,41,46)(H,47,48)