2-cyclohexyl-2-[2-methoxy-3-(2-methylpropyl)-4-quinolin-2-yl-phenyl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[2-methoxy-3-(2-methylpropyl)-4-quinolin-2-yl-phenyl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-isobutyl-2-methoxy-4-(2-quinolyl)phenyl]acetic acid CAS Name: 2-cyclohexyl-2-[2-methoxy-3-(2-methylpropyl)-4-(2-quinolinyl)phenyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[2-methoxy-3-(2-methylpropyl)-4-quinolin-2-ylphenyl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-isobutyl-2-methoxy-4-(2-quinolyl)phenyl]acetic acid Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1OC)C(C2CCCCC2)C(=O)O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1OC)C(C2CCCCC2)C(=O)O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33NO3/c1-18(2)17-23-21(25-16-13-19-9-7-8-12-24(19)29-25)14-15-22(27(23)32-3)26(28(30)31)20-10-5-4-6-11-20/h7-9,12-16,18,20,26H,4-6,10-11,17H2,1-3H3,(H,30,31)