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

Systemtic Name: 2-cyclohexyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetic acid CAS Name: 2-cyclohexyl-2-[3-(2-methylpropyl)-4-(2-quinolinylmethoxy)phenyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetic acid Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C(C2CCCCC2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C(C2CCCCC2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33NO3/c1-19(2)16-23-17-22(27(28(30)31)21-9-4-3-5-10-21)13-15-26(23)32-18-24-14-12-20-8-6-7-11-25(20)29-24/h6-8,11-15,17,19,21,27H,3-5,9-10,16,18H2,1-2H3,(H,30,31)