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

Systemtic Name: ethyl 2-cycloheptyl-2-[3,5-dimethyl-4-(quinolin-2-ylmethoxy)phenyl]-2-oxidanyl-ethanoate Openeye Name: ethyl 2-cycloheptyl-2-[3,5-dimethyl-4-(2-quinolylmethoxy)phenyl]-2-hydroxy-acetate CAS Name: 2-cycloheptyl-2-[3,5-dimethyl-4-(2-quinolinylmethoxy)phenyl]-2-hydroxyacetic acid ethyl ester IUPAC Name: ethyl 2-cycloheptyl-2-[3,5-dimethyl-4-(quinolin-2-ylmethoxy)phenyl]-2-hydroxyacetate Traditional Name: 2-cycloheptyl-2-[3,5-dimethyl-4-(2-quinolylmethoxy)phenyl]-2-hydroxy-acetic acid ethyl ester Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCCCC1)(C2=CC(=C(C(=C2)C)OCC3=NC4=CC=CC=C4C=C3)C)O

Isomeric SMILES

CCOC(=O)C(C1CCCCCC1)(C2=CC(=C(C(=C2)C)OCC3=NC4=CC=CC=C4C=C3)C)O

InChI

InChI=1S/C29H35NO4/c1-4-33-28(31)29(32,23-12-7-5-6-8-13-23)24-17-20(2)27(21(3)18-24)34-19-25-16-15-22-11-9-10-14-26(22)30-25/h9-11,14-18,23,32H,4-8,12-13,19H2,1-3H3