1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-piperonyl-piperazine Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4/c1-30-24-9-7-22(15-26(24)31-19-21-5-3-2-4-6-21)17-28-11-13-29(14-12-28)18-23-8-10-25-27(16-23)33-20-32-25/h2-10,15-16H,11-14,17-20H2,1H3