2-cycloheptyl-2-[3,5-dimethyl-4-(quinolin-2-ylmethoxy)phenyl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-cycloheptyl-2-[3,5-dimethyl-4-(quinolin-2-ylmethoxy)phenyl]-2-oxidanyl-ethanoic acid Openeye Name: 2-cycloheptyl-2-[3,5-dimethyl-4-(2-quinolylmethoxy)phenyl]-2-hydroxy-acetic acid CAS Name: 2-cycloheptyl-2-[3,5-dimethyl-4-(2-quinolinylmethoxy)phenyl]-2-hydroxyacetic acid IUPAC Name: 2-cycloheptyl-2-[3,5-dimethyl-4-(quinolin-2-ylmethoxy)phenyl]-2-hydroxyacetic acid Traditional Name: 2-cycloheptyl-2-[3,5-dimethyl-4-(2-quinolylmethoxy)phenyl]-2-hydroxy-acetic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=NC3=CC=CC=C3C=C2)C)C(C4CCCCCC4)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=NC3=CC=CC=C3C=C2)C)C(C4CCCCCC4)(C(=O)O)O

InChI

InChI=1S/C27H31NO4/c1-18-15-22(27(31,26(29)30)21-10-5-3-4-6-11-21)16-19(2)25(18)32-17-23-14-13-20-9-7-8-12-24(20)28-23/h7-9,12-16,21,31H,3-6,10-11,17H2,1-2H3,(H,29,30)