7-[(2S)-3-[(3,5-dimethoxyphenyl)amino]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2S)-3-[(3,5-dimethoxyphenyl)amino]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-3-(3,5-dimethoxyanilino)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-3-(3,5-dimethoxyanilino)-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-(3,5-dimethoxyanilino)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-3-(3,5-dimethoxyanilino)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CNC3=CC(=CC(=C3)OC)OC)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](CNC3=CC(=CC(=C3)OC)OC)O

InChI

InChI=1S/C21H23NO6/c1-13-6-21(24)28-20-10-16(4-5-19(13)20)27-12-15(23)11-22-14-7-17(25-2)9-18(8-14)26-3/h4-10,15,22-23H,11-12H2,1-3H3/t15-/m0/s1