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

Systemtic Name: (phenylmethyl) 4-[butanoyl(phenyl)amino]-1-phenethyl-piperidine-4-carboxylate Openeye Name: benzyl 4-(N-butanoylanilino)-1-phenethyl-piperidine-4-carboxylate CAS Name: 4-[N-(1-oxobutyl)anilino]-1-phenethyl-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(N-butanoylanilino)-1-phenethylpiperidine-4-carboxylate Traditional Name: 4-(N-butyrylanilino)-1-phenethyl-isonipecotic acid benzyl ester Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O3/c1-2-12-29(34)33(28-17-10-5-11-18-28)31(30(35)36-25-27-15-8-4-9-16-27)20-23-32(24-21-31)22-19-26-13-6-3-7-14-26/h3-11,13-18H,2,12,19-25H2,1H3