N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]-2-butanamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-methoxy-2-(2-phenylethynyl)phenyl]butan-2-amine Traditional Name: homoveratryl-[3-[5-methoxy-2-(2-phenylethynyl)phenyl]-1-methyl-propyl]amine Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(CCC1=C(C=CC(=C1)OC)C#CC2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H33NO3/c1-22(30-19-18-24-12-17-28(32-3)29(20-24)33-4)10-13-26-21-27(31-2)16-15-25(26)14-11-23-8-6-5-7-9-23/h5-9,12,15-17,20-22,30H,10,13,18-19H2,1-4H3