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

Systemtic Name: 7-[2-oxidanyl-3-(prop-2-enylamino)propoxy]-2,3-diphenyl-chromen-4-one hydrochloride Openeye Name: 7-[3-(allylamino)-2-hydroxy-propoxy]-2,3-diphenyl-chromen-4-one hydrochloride CAS Name: 7-[2-hydroxy-3-(prop-2-enylamino)propoxy]-2,3-diphenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 7-[2-hydroxy-3-(prop-2-enylamino)propoxy]-2,3-diphenylchromen-4-one hydrochloride Traditional Name: 7-[3-(allylamino)-2-hydroxy-propoxy]-2,3-diphenyl-chromone hydrochloride Formula: C27H26ClNO4 MolecularWeight: 463.95264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO4.ClH/c1-2-15-28-17-21(29)18-31-22-13-14-23-24(16-22)32-27(20-11-7-4-8-12-20)25(26(23)30)19-9-5-3-6-10-19;/h2-14,16,21,28-29H,1,15,17-18H2;1H