3-methyl-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2-phenyl-chromen-4-one hydrochloride

Systemtic Name: 3-methyl-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2-phenyl-chromen-4-one hydrochloride Openeye Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-2-phenyl-chromen-4-one hydrochloride CAS Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-2-phenyl-1-benzopyran-4-one hydrochloride IUPAC Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-2-phenylchromen-4-one hydrochloride Traditional Name: 7-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-2-phenyl-chromone hydrochloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC(=C2)OCC(CNC(C)C)O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC(=C2)OCC(CNC(C)C)O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H25NO4.ClH/c1-14(2)23-12-17(24)13-26-18-9-10-19-20(11-18)27-22(15(3)21(19)25)16-7-5-4-6-8-16;/h4-11,14,17,23-24H,12-13H2,1-3H3;1H