3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol

Systemtic Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol Openeye Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol CAS Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]-1,4-benzodioxin-6-ol IUPAC Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol Traditional Name: 3-[[4-(2,3,4-trimethoxybenzyl)piperazino]methyl]-1,4-benzodioxin-6-ol Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=COC4=C(O3)C=C(C=C4)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=COC4=C(O3)C=C(C=C4)O)OC)OC

InChI

InChI=1S/C23H28N2O6/c1-27-20-6-4-16(22(28-2)23(20)29-3)13-24-8-10-25(11-9-24)14-18-15-30-19-7-5-17(26)12-21(19)31-18/h4-7,12,15,26H,8-11,13-14H2,1-3H3