[1-(6-nitrohexyl)-4-phenyl-piperidin-4-yl] propanoate

Systemtic Name: [1-(6-nitrohexyl)-4-phenyl-piperidin-4-yl] propanoate Openeye Name: [1-(6-nitrohexyl)-4-phenyl-4-piperidyl] propanoate CAS Name: propanoic acid [1-(6-nitrohexyl)-4-phenyl-4-piperidinyl] ester IUPAC Name: [1-(6-nitrohexyl)-4-phenylpiperidin-4-yl] propanoate Traditional Name: propionic acid [1-(6-nitrohexyl)-4-phenyl-4-piperidyl] ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CCCCCC[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CCCCCC[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O4/c1-2-19(23)26-20(18-10-6-5-7-11-18)12-16-21(17-13-20)14-8-3-4-9-15-22(24)25/h5-7,10-11H,2-4,8-9,12-17H2,1H3