[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-benzyloxy-3,5-dimethoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone Traditional Name: (4-benzoxy-3,5-dimethoxy-phenyl)-(4-piperonylpiperazino)methanone Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H30N2O6/c1-32-25-15-22(16-26(33-2)27(25)34-18-20-6-4-3-5-7-20)28(31)30-12-10-29(11-13-30)17-21-8-9-23-24(14-21)36-19-35-23/h3-9,14-16H,10-13,17-19H2,1-2H3