[3-[(3R,4S)-1-(2-cyclohexyloxyethyl)-3,4-dimethyl-piperidin-4-yl]phenyl] 2-acetyloxybenzoate

Systemtic Name: [3-[(3R,4S)-1-(2-cyclohexyloxyethyl)-3,4-dimethyl-piperidin-4-yl]phenyl] 2-acetyloxybenzoate Openeye Name: [3-[(3R,4S)-1-[2-(cyclohexoxy)ethyl]-3,4-dimethyl-4-piperidyl]phenyl] 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [3-[(3R,4S)-1-(2-cyclohexyloxyethyl)-3,4-dimethyl-4-piperidinyl]phenyl] ester IUPAC Name: [3-[(3R,4S)-1-(2-cyclohexyloxyethyl)-3,4-dimethylpiperidin-4-yl]phenyl] 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [3-[(3R,4S)-1-[2-(cyclohexoxy)ethyl]-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C30H39NO5 MolecularWeight: 493.63436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3OC(=O)C)CCOC4CCCCC4

Isomeric SMILES

C[C@H]1CN(CC[C@]1(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3OC(=O)C)CCOC4CCCCC4

InChI

InChI=1S/C30H39NO5/c1-22-21-31(18-19-34-25-11-5-4-6-12-25)17-16-30(22,3)24-10-9-13-26(20-24)36-29(33)27-14-7-8-15-28(27)35-23(2)32/h7-10,13-15,20,22,25H,4-6,11-12,16-19,21H2,1-3H3/t22-,30-/m0/s1