7-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-2,3-diphenyl-chromen-4-one hydrochloride

Systemtic Name: 7-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-2,3-diphenyl-chromen-4-one hydrochloride Openeye Name: 7-[2-hydroxy-3-(sec-butylamino)propoxy]-2,3-diphenyl-chromen-4-one hydrochloride CAS Name: 7-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2,3-diphenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 7-[3-(butan-2-ylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one hydrochloride Traditional Name: 7-[2-hydroxy-3-(sec-butylamino)propoxy]-2,3-diphenyl-chromone hydrochloride Formula: C28H30ClNO4 MolecularWeight: 479.9951

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)O.Cl

Isomeric SMILES

CCC(C)NCC(COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C28H29NO4.ClH/c1-3-19(2)29-17-22(30)18-32-23-14-15-24-25(16-23)33-28(21-12-8-5-9-13-21)26(27(24)31)20-10-6-4-7-11-20;/h4-16,19,22,29-30H,3,17-18H2,1-2H3;1H