1-[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[3-(1,3-benzodioxol-5-yloxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[3-(1,3-benzodioxol-5-yloxy)-3-phenylpropyl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[3-(1,3-benzodioxol-5-yloxy)-3-phenyl-propyl]-4-(2-methoxyphenyl)piperazine Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)OC4=CC5=C(C=C4)OCO5

InChI

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