4-methyl-7-oxidanyl-8-[(2-oxidanylpropylamino)methyl]-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-oxidanyl-8-[(2-oxidanylpropylamino)methyl]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-hydroxy-8-[(2-hydroxypropylamino)methyl]-4-methyl-chromen-2-one CAS Name: 7-hydroxy-8-[(2-hydroxypropylamino)methyl]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-hydroxy-8-[(2-hydroxypropylamino)methyl]-4-methylchromen-2-one Traditional Name: 3-benzyl-7-hydroxy-8-[(2-hydroxypropylamino)methyl]-4-methyl-coumarin Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC(C)O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC(C)O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c1-13(23)11-22-12-18-19(24)9-8-16-14(2)17(21(25)26-20(16)18)10-15-6-4-3-5-7-15/h3-9,13,22-24H,10-12H2,1-2H3