methyl 1-[2-[3-(4-nitrophenyl)propanoylamino]ethyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[3-(4-nitrophenyl)propanoylamino]ethyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(4-nitrophenyl)propanoylamino]ethyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[[3-(4-nitrophenyl)-1-oxopropyl]amino]ethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(4-nitrophenyl)propanoylamino]ethyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[3-(4-nitrophenyl)propanoylamino]ethyl]-4-phenyl-isonipecotic acid methyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5/c1-32-23(29)24(20-5-3-2-4-6-20)13-16-26(17-14-24)18-15-25-22(28)12-9-19-7-10-21(11-8-19)27(30)31/h2-8,10-11H,9,12-18H2,1H3,(H,25,28)