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

Systemtic Name: (phenylmethyl) 1-phenethyl-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate hydrochloride Openeye Name: benzyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate hydrochloride CAS Name: 4-[N-(1-oxopropyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 1-phenethyl-4-(N-propanoylanilino)piperidine-4-carboxylate hydrochloride Traditional Name: 1-phenethyl-4-(N-propionylanilino)isonipecotic acid benzyl ester hydrochloride Formula: C30H35ClN2O3 MolecularWeight: 507.0635

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O3.ClH/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;1H