3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]butyl]-4-(2-phenylethynyl)phenol

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]butyl]-4-(2-phenylethynyl)phenol Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]butyl]-4-(2-phenylethynyl)phenol CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]butyl]-4-(2-phenylethynyl)phenol IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]butyl]-4-(2-phenylethynyl)phenol Traditional Name: 3-[3-[homoveratryl(methyl)amino]butyl]-4-(2-phenylethynyl)phenol Formula: C29H33NO3 MolecularWeight: 443.57722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=CC(=C1)O)C#CC2=CC=CC=C2)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(CCC1=C(C=CC(=C1)O)C#CC2=CC=CC=C2)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

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