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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C(=O)OC)NC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CN(CC[C@]1(C(=O)OC)NC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-18-17-24(15-13-19-9-5-3-6-10-19)16-14-22(18,21(25)26-2)23-20-11-7-4-8-12-20/h3-12,18,23H,13-17H2,1-2H3/t18-,22+/m1/s1