1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]propan-1-one

Systemtic Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]propan-1-one Openeye Name: 1-[3-acetyl-4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[3-acetyl-4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[3-acetyl-4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[3-acetyl-4-[3-(homoveratrylamino)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O)C(=O)C

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O)C(=O)C

InChI

InChI=1S/C24H31NO6/c1-5-21(28)18-7-9-22(20(13-18)16(2)26)31-15-19(27)14-25-11-10-17-6-8-23(29-3)24(12-17)30-4/h6-9,12-13,19,25,27H,5,10-11,14-15H2,1-4H3