methyl (3R,4S)-2-oxidanylidene-4-phenyl-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl (3R,4S)-2-oxidanylidene-4-phenyl-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: methyl (3R,4S)-1-benzyl-2-oxo-4-phenyl-piperidine-3-carboxylate CAS Name: (3R,4S)-2-oxo-4-phenyl-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-1-benzyl-2-oxo-4-phenylpiperidine-3-carboxylate Traditional Name: (3R,4S)-1-benzyl-2-keto-4-phenyl-nipecotic acid methyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCN(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1[C@H](CCN(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c1-24-20(23)18-17(16-10-6-3-7-11-16)12-13-21(19(18)22)14-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3/t17-,18-/m1/s1