1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propane-1,3-diol

Systemtic Name: 1-(4-nitrophenyl)-2-[4-(phenylmethyl)piperidin-1-yl]propane-1,3-diol Openeye Name: 2-(4-benzyl-1-piperidyl)-1-(4-nitrophenyl)propane-1,3-diol CAS Name: 1-(4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperidinyl]propane-1,3-diol IUPAC Name: 2-(4-benzylpiperidin-1-yl)-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: 2-(4-benzylpiperidino)-1-(4-nitrophenyl)propane-1,3-diol Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H26N2O4/c24-15-20(21(25)18-6-8-19(9-7-18)23(26)27)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17,20-21,24-25H,10-15H2