[(3S,4S)-3-ethyl-1-methyl-4-phenyl-piperidin-4-yl] benzoate

Systemtic Name: [(3S,4S)-3-ethyl-1-methyl-4-phenyl-piperidin-4-yl] benzoate Openeye Name: [(3S,4S)-3-ethyl-1-methyl-4-phenyl-4-piperidyl] benzoate CAS Name: benzoic acid [(3S,4S)-3-ethyl-1-methyl-4-phenyl-4-piperidinyl] ester IUPAC Name: [(3S,4S)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [(3S,4S)-3-ethyl-1-methyl-4-phenyl-4-piperidyl] ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2/c1-3-18-16-22(2)15-14-21(18,19-12-8-5-9-13-19)24-20(23)17-10-6-4-7-11-17/h4-13,18H,3,14-16H2,1-2H3/t18-,21-/m0/s1