2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine Openeye Name: 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]ethanamine CAS Name: 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]ethanamine IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine Traditional Name: homoveratryl-methyl-[3-(4-piperidinobut-1-ynyl)benzyl]amine Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CC(=C2)C#CCCN3CCCCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=CC(=C2)C#CCCN3CCCCC3

InChI

InChI=1S/C27H36N2O2/c1-28(19-15-24-13-14-26(30-2)27(21-24)31-3)22-25-12-9-11-23(20-25)10-5-8-18-29-16-6-4-7-17-29/h9,11-14,20-21H,4,6-8,15-19,22H2,1-3H3