ethyl [2-nitro-5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]phenyl] carbonate

Systemtic Name: ethyl [2-nitro-5-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]phenyl] carbonate Openeye Name: [5-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]-2-nitro-phenyl] ethyl carbonate CAS Name: carbonic acid ethyl [2-nitro-5-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]phenyl] ester IUPAC Name: [5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-2-nitrophenyl] ethyl carbonate Traditional Name: carbonic acid [5-[3-(4-benzylpiperidino)prop-1-ynyl]-2-nitro-phenyl] ethyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=CC(=C1)C#CCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)OC1=C(C=CC(=C1)C#CCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O5/c1-2-30-24(27)31-23-18-20(10-11-22(23)26(28)29)9-6-14-25-15-12-21(13-16-25)17-19-7-4-3-5-8-19/h3-5,7-8,10-11,18,21H,2,12-17H2,1H3