[4-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylmethoxy-1,3-benzodioxol-2-yl]methanamine

Systemtic Name: [4-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylmethoxy-1,3-benzodioxol-2-yl]methanamine Openeye Name: [6-benzyloxy-4-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-benzodioxol-2-yl]methanamine CAS Name: [4-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylmethoxy-1,3-benzodioxol-2-yl]methanamine IUPAC Name: [4-[2-(3,4-dimethoxyphenyl)ethyl]-6-phenylmethoxy-1,3-benzodioxol-2-yl]methanamine Traditional Name: (6-benzoxy-4-homoveratryl-1,3-benzodioxol-2-yl)methylamine Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=CC(=CC3=C2OC(O3)CN)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=CC(=CC3=C2OC(O3)CN)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H27NO5/c1-27-21-11-9-17(12-22(21)28-2)8-10-19-13-20(29-16-18-6-4-3-5-7-18)14-23-25(19)31-24(15-26)30-23/h3-7,9,11-14,24H,8,10,15-16,26H2,1-2H3