3-(3-hydroxyphenyl)-2-[2-oxidanyl-3-(propylamino)propoxy]-1-phenyl-propan-1-one hydrochloride

Systemtic Name: 3-(3-hydroxyphenyl)-2-[2-oxidanyl-3-(propylamino)propoxy]-1-phenyl-propan-1-one hydrochloride Openeye Name: 3-(3-hydroxyphenyl)-2-[2-hydroxy-3-(propylamino)propoxy]-1-phenyl-propan-1-one hydrochloride CAS Name: 3-(3-hydroxyphenyl)-2-[2-hydroxy-3-(propylamino)propoxy]-1-phenyl-1-propanone hydrochloride IUPAC Name: 3-(3-hydroxyphenyl)-2-[2-hydroxy-3-(propylamino)propoxy]-1-phenylpropan-1-one hydrochloride Traditional Name: 3-(3-hydroxyphenyl)-2-[2-hydroxy-3-(propylamino)propoxy]-1-phenyl-propan-1-one hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC(CC1=CC(=CC=C1)O)C(=O)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCCNCC(COC(CC1=CC(=CC=C1)O)C(=O)C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C21H27NO4.ClH/c1-2-11-22-14-19(24)15-26-20(13-16-7-6-10-18(23)12-16)21(25)17-8-4-3-5-9-17;/h3-10,12,19-20,22-24H,2,11,13-15H2,1H3;1H