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

Systemtic Name: 2-cyclopentyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoic acid Openeye Name: 2-cyclopentyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetic acid CAS Name: 2-cyclopentyl-2-[3-(2-methylpropyl)-4-(2-quinolinylmethoxy)phenyl]acetic acid IUPAC Name: 2-cyclopentyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]acetic acid Traditional Name: 2-cyclopentyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetic acid Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C(C2CCCC2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C(C2CCCC2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31NO3/c1-18(2)15-22-16-21(26(27(29)30)20-8-3-4-9-20)12-14-25(22)31-17-23-13-11-19-7-5-6-10-24(19)28-23/h5-7,10-14,16,18,20,26H,3-4,8-9,15,17H2,1-2H3,(H,29,30)