7-[3-[(3-chlorophenyl)methylamino]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one hydrochloride

Systemtic Name: 7-[3-[(3-chlorophenyl)methylamino]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one hydrochloride Openeye Name: 7-[3-[(3-chlorophenyl)methylamino]-2-hydroxy-propoxy]-4-methyl-chromen-2-one hydrochloride CAS Name: 7-[3-[(3-chlorophenyl)methylamino]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[3-[(3-chlorophenyl)methylamino]-2-hydroxypropoxy]-4-methylchromen-2-one hydrochloride Traditional Name: 7-[3-[(3-chlorobenzyl)amino]-2-hydroxy-propoxy]-4-methyl-coumarin hydrochloride Formula: C20H21Cl2NO4 MolecularWeight: 410.29104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CNCC3=CC(=CC=C3)Cl)O.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CNCC3=CC(=CC=C3)Cl)O.Cl

InChI

InChI=1S/C20H20ClNO4.ClH/c1-13-7-20(24)26-19-9-17(5-6-18(13)19)25-12-16(23)11-22-10-14-3-2-4-15(21)8-14;/h2-9,16,22-23H,10-12H2,1H3;1H