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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-phenylethynyl)phenoxy]-2-propanol IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol Traditional Name: 1-(homoveratrylamino)-3-[2-(2-phenylethynyl)phenoxy]propan-2-ol Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC=C2C#CC3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC=C2C#CC3=CC=CC=C3)O)OC

InChI

InChI=1S/C27H29NO4/c1-30-26-15-13-22(18-27(26)31-2)16-17-28-19-24(29)20-32-25-11-7-6-10-23(25)14-12-21-8-4-3-5-9-21/h3-11,13,15,18,24,28-29H,16-17,19-20H2,1-2H3