1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[5-methoxy-2-(2-phenylethynyl)phenoxy]propan-2-ol

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[5-methoxy-2-(2-phenylethynyl)phenoxy]propan-2-ol Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[5-methoxy-2-(2-phenylethynyl)phenoxy]propan-2-ol CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[5-methoxy-2-(2-phenylethynyl)phenoxy]-2-propanol IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[5-methoxy-2-(2-phenylethynyl)phenoxy]propan-2-ol Traditional Name: 1-(homoveratrylamino)-3-[5-methoxy-2-(2-phenylethynyl)phenoxy]propan-2-ol Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C#CC2=CC=CC=C2)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O

Isomeric SMILES

COC1=CC(=C(C=C1)C#CC2=CC=CC=C2)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O

InChI

InChI=1S/C28H31NO5/c1-31-25-13-12-23(11-9-21-7-5-4-6-8-21)27(18-25)34-20-24(30)19-29-16-15-22-10-14-26(32-2)28(17-22)33-3/h4-8,10,12-14,17-18,24,29-30H,15-16,19-20H2,1-3H3