2-cycloheptyl-2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(C2CCCCCC2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(C2CCCCCC2)C(=O)O)OCC3=NC4=CC=CC=C4C=C3

InChI

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