ethyl (3S,4R)-4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S,4R)-4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridin-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S,4R)-4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S,4R)-4-[3-(aminomethyl)phenyl]-1-[oxo-(5-phenethyl-3-pyridinyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-[3-(aminomethyl)phenyl]-1-(5-phenethylpyridine-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S,4R)-4-[3-(aminomethyl)phenyl]-1-(5-phenethylnicotinoyl)nipecotic acid ethyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1C2=CC(=CC=C2)CN)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1CN(CC[C@H]1C2=CC(=CC=C2)CN)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O3/c1-2-35-29(34)27-20-32(14-13-26(27)24-10-6-9-22(15-24)17-30)28(33)25-16-23(18-31-19-25)12-11-21-7-4-3-5-8-21/h3-10,15-16,18-19,26-27H,2,11-14,17,20,30H2,1H3/t26-,27+/m0/s1