methyl 2-cyclohexyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoate

Systemtic Name: methyl 2-cyclohexyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-cyclohexyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-cyclohexyl-2-[3-(2-methylpropyl)-4-(2-quinolinylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cyclohexyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-cyclohexyl-2-[3-isobutyl-4-(2-quinolylmethoxy)phenyl]acetic acid methyl ester Formula: C29H35NO3 MolecularWeight: 445.5931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO3/c1-20(2)17-24-18-23(28(29(31)32-3)22-10-5-4-6-11-22)14-16-27(24)33-19-25-15-13-21-9-7-8-12-26(21)30-25/h7-9,12-16,18,20,22,28H,4-6,10-11,17,19H2,1-3H3