N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-hex-1-ynyl-1,3-benzodioxol-5-yl)-N-methyl-propan-1-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-hex-1-ynyl-1,3-benzodioxol-5-yl)-N-methyl-propan-1-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-hex-1-ynyl-1,3-benzodioxol-5-yl)-N-methyl-propan-1-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-hex-1-ynyl-1,3-benzodioxol-5-yl)-N-methyl-1-propanamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-hex-1-ynyl-1,3-benzodioxol-5-yl)-N-methylpropan-1-amine Traditional Name: 3-(6-hex-1-ynyl-1,3-benzodioxol-5-yl)propyl-homoveratryl-methyl-amine Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC2=C(C=C1CCCN(C)CCC3=CC(=C(C=C3)OC)OC)OCO2

Isomeric SMILES

CCCCC#CC1=CC2=C(C=C1CCCN(C)CCC3=CC(=C(C=C3)OC)OC)OCO2

InChI

InChI=1S/C27H35NO4/c1-5-6-7-8-10-22-18-26-27(32-20-31-26)19-23(22)11-9-15-28(2)16-14-21-12-13-24(29-3)25(17-21)30-4/h12-13,17-19H,5-7,9,11,14-16,20H2,1-4H3