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

Systemtic Name: methyl (3R,4S)-3-methyl-4-phenylazanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: methyl (3R,4S)-4-anilino-1-benzyl-3-methyl-piperidine-4-carboxylate CAS Name: (3R,4S)-4-anilino-3-methyl-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-anilino-1-benzyl-3-methylpiperidine-4-carboxylate Traditional Name: (3R,4S)-4-anilino-1-benzyl-3-methyl-isonipecotic acid methyl ester Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C(=O)OC)NC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN(CC[C@]1(C(=O)OC)NC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-17-15-23(16-18-9-5-3-6-10-18)14-13-21(17,20(24)25-2)22-19-11-7-4-8-12-19/h3-12,17,22H,13-16H2,1-2H3/t17-,21+/m1/s1