ethyl (3R,4S)-3-methyl-4-phenylazanyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl (3R,4S)-3-methyl-4-phenylazanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl (3R,4S)-4-anilino-1-benzyl-3-methyl-piperidine-4-carboxylate CAS Name: (3R,4S)-4-anilino-3-methyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-4-anilino-1-benzyl-3-methylpiperidine-4-carboxylate Traditional Name: (3R,4S)-4-anilino-1-benzyl-3-methyl-isonipecotic acid ethyl ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1C)CC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCN(C[C@H]1C)CC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-3-26-21(25)22(23-20-12-8-5-9-13-20)14-15-24(16-18(22)2)17-19-10-6-4-7-11-19/h4-13,18,23H,3,14-17H2,1-2H3/t18-,22+/m1/s1