[1-[3-(2-nitrophenyl)prop-2-enyl]-4-phenyl-piperidin-4-yl] propanoate hydrochloride

Systemtic Name: [1-[3-(2-nitrophenyl)prop-2-enyl]-4-phenyl-piperidin-4-yl] propanoate hydrochloride Openeye Name: [1-[3-(2-nitrophenyl)allyl]-4-phenyl-4-piperidyl] propanoate hydrochloride CAS Name: propanoic acid [1-[3-(2-nitrophenyl)prop-2-enyl]-4-phenyl-4-piperidinyl] ester hydrochloride IUPAC Name: [1-[3-(2-nitrophenyl)prop-2-enyl]-4-phenylpiperidin-4-yl] propanoate hydrochloride Traditional Name: propionic acid [1-[3-(2-nitrophenyl)allyl]-4-phenyl-4-piperidyl] ester hydrochloride Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CC=CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3.Cl

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CC=CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3.Cl

InChI

InChI=1S/C23H26N2O4.ClH/c1-2-22(26)29-23(20-11-4-3-5-12-20)14-17-24(18-15-23)16-8-10-19-9-6-7-13-21(19)25(27)28;/h3-13H,2,14-18H2,1H3;1H