3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]butyl]-4-(2-phenylethynyl)phenol

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]butyl]-4-(2-phenylethynyl)phenol Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]butyl]-4-(2-phenylethynyl)phenol CAS Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]butyl]-4-(2-phenylethynyl)phenol IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]butyl]-4-(2-phenylethynyl)phenol Traditional Name: 3-[3-(homoveratrylamino)butyl]-4-(2-phenylethynyl)phenol Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO3/c1-21(29-18-17-23-11-16-27(31-2)28(19-23)32-3)9-12-25-20-26(30)15-14-24(25)13-10-22-7-5-4-6-8-22/h4-8,11,14-16,19-21,29-30H,9,12,17-18H2,1-3H3