2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(3-nitro-4-phenylmethoxy-phenyl)ethanol

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(3-nitro-4-phenylmethoxy-phenyl)ethanol Openeye Name: 1-(4-benzyloxy-3-nitro-phenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethanol CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanol IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanol Traditional Name: 1-(4-benzoxy-3-nitro-phenyl)-2-[homoveratryl(methyl)amino]ethanol Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C26H30N2O6/c1-27(14-13-19-9-11-25(32-2)26(15-19)33-3)17-23(29)21-10-12-24(22(16-21)28(30)31)34-18-20-7-5-4-6-8-20/h4-12,15-16,23,29H,13-14,17-18H2,1-3H3