1-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[methyl-[[2-(1-piperidyl)phenyl]methyl]amino]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[methyl-[[2-(1-piperidinyl)phenyl]methyl]amino]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[methyl-(2-piperidinobenzyl)amino]-3-(3-nitrophenoxy)propan-2-ol Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H29N3O4/c1-23(15-18-8-3-4-11-22(18)24-12-5-2-6-13-24)16-20(26)17-29-21-10-7-9-19(14-21)25(27)28/h3-4,7-11,14,20,26H,2,5-6,12-13,15-17H2,1H3