methyl 1-[3-[3-(4-nitrophenyl)propanoylamino]propyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[3-(4-nitrophenyl)propanoylamino]propyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-[3-(4-nitrophenyl)propanoylamino]propyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[3-[[3-(4-nitrophenyl)-1-oxopropyl]amino]propyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[3-(4-nitrophenyl)propanoylamino]propyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-[3-(4-nitrophenyl)propanoylamino]propyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CCCNC(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)CCCNC(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5/c1-33-24(30)25(21-6-3-2-4-7-21)14-18-27(19-15-25)17-5-16-26-23(29)13-10-20-8-11-22(12-9-20)28(31)32/h2-4,6-9,11-12H,5,10,13-19H2,1H3,(H,26,29)