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

Systemtic Name: ethyl [2-nitro-5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]phenyl] carbonate Openeye Name: [5-[4-(4-benzyl-1-piperidyl)but-1-ynyl]-2-nitro-phenyl] ethyl carbonate CAS Name: carbonic acid ethyl [2-nitro-5-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]phenyl] ester IUPAC Name: [5-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]-2-nitrophenyl] ethyl carbonate Traditional Name: carbonic acid [5-[4-(4-benzylpiperidino)but-1-ynyl]-2-nitro-phenyl] ethyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=CC(=C1)C#CCCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)OC1=C(C=CC(=C1)C#CCCN2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O5/c1-2-31-25(28)32-24-19-21(11-12-23(24)27(29)30)10-6-7-15-26-16-13-22(14-17-26)18-20-8-4-3-5-9-20/h3-5,8-9,11-12,19,22H,2,7,13-18H2,1H3