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

Systemtic Name: (3S,4R)-3-methyl-1-phenethyl-4-phenylazanyl-piperidine-4-carboxylic acid Openeye Name: (3S,4R)-4-anilino-3-methyl-1-phenethyl-piperidine-4-carboxylic acid CAS Name: (3S,4R)-4-anilino-3-methyl-1-phenethyl-4-piperidinecarboxylic acid IUPAC Name: (3S,4R)-4-anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid Traditional Name: (3S,4R)-4-anilino-3-methyl-1-phenethyl-isonipecotic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-17-16-23(14-12-18-8-4-2-5-9-18)15-13-21(17,20(24)25)22-19-10-6-3-7-11-19/h2-11,17,22H,12-16H2,1H3,(H,24,25)/t17-,21+/m0/s1