2-[2-[3-(carboxymethyl)-2,2-dimethyl-cyclobutyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[3-(carboxymethyl)-2,2-dimethyl-cyclobutyl]quinolin-6-yl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[3-(carboxymethyl)-2,2-dimethyl-cyclobutyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[3-(carboxymethyl)-2,2-dimethylcyclobutyl]-6-quinolinyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[3-(carboxymethyl)-2,2-dimethylcyclobutyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[3-(carboxymethyl)-2,2-dimethyl-cyclobutyl]-6-quinolyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC1C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)CC(=O)O)C

Isomeric SMILES

CC1(C(CC1C2=NC3=C(C=C2)C=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O)CC(=O)O)C

InChI

InChI=1S/C31H33N3O4/c1-31(2)21(17-28(35)36)16-23(31)25-12-8-18-14-19(9-11-24(18)32-25)29-33-26-15-20(30(37)38)10-13-27(26)34(29)22-6-4-3-5-7-22/h8-15,21-23H,3-7,16-17H2,1-2H3,(H,35,36)(H,37,38)