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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4/c1-2-30-25-16-21(8-10-23(25)31-18-20-6-4-3-5-7-20)27(29-14-12-28-13-15-29)22-9-11-24-26(17-22)33-19-32-24/h3-11,16-17,27-28H,2,12-15,18-19H2,1H3