1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[[6-(hydroxymethyl)-1H-indol-4-yl]oxy]propan-2-ol

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[[6-(hydroxymethyl)-1H-indol-4-yl]oxy]propan-2-ol Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[[6-(hydroxymethyl)-1H-indol-4-yl]oxy]propan-2-ol CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[[6-(hydroxymethyl)-1H-indol-4-yl]oxy]-2-propanol IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[[6-(hydroxymethyl)-1H-indol-4-yl]oxy]propan-2-ol Traditional Name: 1-(homoveratrylamino)-3-[(6-methylol-1H-indol-4-yl)oxy]propan-2-ol Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC(=CC3=C2C=CN3)CO)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=CC(=CC3=C2C=CN3)CO)O)OC

InChI

InChI=1S/C22H28N2O5/c1-27-20-4-3-15(10-22(20)28-2)5-7-23-12-17(26)14-29-21-11-16(13-25)9-19-18(21)6-8-24-19/h3-4,6,8-11,17,23-26H,5,7,12-14H2,1-2H3