(phenylmethyl) 1-phenethyl-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-phenethyl-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: benzyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-phenethyl-4-(N-propionylanilino)isonipecotic acid benzyl ester Formula: C30H34N2O3 MolecularWeight: 470.60256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H34N2O3/c1-2-28(33)32(27-16-10-5-11-17-27)30(29(34)35-24-26-14-8-4-9-15-26)19-22-31(23-20-30)21-18-25-12-6-3-7-13-25/h3-17H,2,18-24H2,1H3