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

Systemtic Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]phenyl]propan-1-one hydrochloride Openeye Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]phenyl]propan-1-one hydrochloride CAS Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]-1-propanone hydrochloride IUPAC Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]propan-1-one hydrochloride Traditional Name: 1-[4-[3-(homoveratrylamino)-2-hydroxy-propoxy]phenyl]propan-1-one hydrochloride Formula: C22H30ClNO5 MolecularWeight: 423.9303

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5.ClH/c1-4-20(25)17-6-8-19(9-7-17)28-15-18(24)14-23-12-11-16-5-10-21(26-2)22(13-16)27-3;/h5-10,13,18,23-24H,4,11-12,14-15H2,1-3H3;1H