[(5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoate

Systemtic Name: [(5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[4-(quinolin-2-ylmethoxy)phenyl]ethanoate Openeye Name: [(5S)-2-isopropyl-5-methyl-cyclohexyl] 2-[4-(2-quinolylmethoxy)phenyl]acetate CAS Name: 2-[4-(2-quinolinylmethoxy)phenyl]acetic acid [(5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate Traditional Name: 2-[4-(2-quinolylmethoxy)phenyl]acetic acid [(5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(C)C

Isomeric SMILES

C[C@H]1CCC(C(C1)OC(=O)CC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(C)C

InChI

InChI=1S/C28H33NO3/c1-19(2)25-15-8-20(3)16-27(25)32-28(30)17-21-9-13-24(14-10-21)31-18-23-12-11-22-6-4-5-7-26(22)29-23/h4-7,9-14,19-20,25,27H,8,15-18H2,1-3H3/t20-,25?,27?/m0/s1