1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazino]-3-(3-nitrophenoxy)propan-2-ol Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H29N3O6/c1-29-20-6-7-22(30-2)17(12-20)14-23-8-10-24(11-9-23)15-19(26)16-31-21-5-3-4-18(13-21)25(27)28/h3-7,12-13,19,26H,8-11,14-16H2,1-2H3