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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]piperazine CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3-methoxy-phenyl)methyl]piperazine Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H28N2O4/c1-29-24-15-20(7-9-22(24)30-17-19-5-3-2-4-6-19)26(28-13-11-27-12-14-28)21-8-10-23-25(16-21)32-18-31-23/h2-10,15-16,26-27H,11-14,17-18H2,1H3