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

Systemtic Name: 4-methyl-7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-7-[2-hydroxy-3-(isopropylamino)propoxy]-4-methyl-chromen-2-one hydrochloride CAS Name: 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4-methylchromen-2-one hydrochloride Traditional Name: 3-benzyl-7-[2-hydroxy-3-(isopropylamino)propoxy]-4-methyl-coumarin hydrochloride Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(CNC(C)C)O)CC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(CNC(C)C)O)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C23H27NO4.ClH/c1-15(2)24-13-18(25)14-27-19-9-10-20-16(3)21(23(26)28-22(20)12-19)11-17-7-5-4-6-8-17;/h4-10,12,15,18,24-25H,11,13-14H2,1-3H3;1H