1-(diethylamino)-3-[5-nitro-2-[3-(phenylmethyl)piperidin-1-yl]phenoxy]propan-2-ol

Systemtic Name: 1-(diethylamino)-3-[5-nitro-2-[3-(phenylmethyl)piperidin-1-yl]phenoxy]propan-2-ol Openeye Name: 1-[2-(3-benzyl-1-piperidyl)-5-nitro-phenoxy]-3-(diethylamino)propan-2-ol CAS Name: 1-(diethylamino)-3-[5-nitro-2-[3-(phenylmethyl)-1-piperidinyl]phenoxy]-2-propanol IUPAC Name: 1-[2-(3-benzylpiperidin-1-yl)-5-nitrophenoxy]-3-(diethylamino)propan-2-ol Traditional Name: 1-[2-(3-benzylpiperidino)-5-nitro-phenoxy]-3-(diethylamino)propan-2-ol Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)CC3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC(C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C25H35N3O4/c1-3-26(4-2)18-23(29)19-32-25-16-22(28(30)31)12-13-24(25)27-14-8-11-21(17-27)15-20-9-6-5-7-10-20/h5-7,9-10,12-13,16,21,23,29H,3-4,8,11,14-15,17-19H2,1-2H3