1-[4-methyl-3-nitro-2-(propylamino)phenoxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol

Systemtic Name: 1-[4-methyl-3-nitro-2-(propylamino)phenoxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol Openeye Name: 1-[4-methyl-3-nitro-2-(propylamino)phenoxy]-3-[4-(phenoxymethyl)-1-piperidyl]propan-2-ol CAS Name: 1-[4-methyl-3-nitro-2-(propylamino)phenoxy]-3-[4-(phenoxymethyl)-1-piperidinyl]-2-propanol IUPAC Name: 1-[4-methyl-3-nitro-2-(propylamino)phenoxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol Traditional Name: 1-[4-methyl-3-nitro-2-(propylamino)phenoxy]-3-[4-(phenoxymethyl)piperidino]propan-2-ol Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1[N+](=O)[O-])C)OCC(CN2CCC(CC2)COC3=CC=CC=C3)O

Isomeric SMILES

CCCNC1=C(C=CC(=C1[N+](=O)[O-])C)OCC(CN2CCC(CC2)COC3=CC=CC=C3)O

InChI

InChI=1S/C25H35N3O5/c1-3-13-26-24-23(10-9-19(2)25(24)28(30)31)33-18-21(29)16-27-14-11-20(12-15-27)17-32-22-7-5-4-6-8-22/h4-10,20-21,26,29H,3,11-18H2,1-2H3