7-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanyl-propoxy]-3,4-dimethyl-chromen-2-one

Systemtic Name: 7-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanyl-propoxy]-3,4-dimethyl-chromen-2-one Openeye Name: 7-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-hydroxy-propoxy]-3,4-dimethyl-chromen-2-one CAS Name: 7-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-hydroxypropoxy]-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-hydroxypropoxy]-3,4-dimethylchromen-2-one Traditional Name: 7-[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-hydroxy-propoxy]-3,4-dimethyl-coumarin Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(CNC3=CC4=C(C=C3)OCCO4)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC[C@H](CNC3=CC4=C(C=C3)OCCO4)O)C

InChI

InChI=1S/C22H23NO6/c1-13-14(2)22(25)29-20-10-17(4-5-18(13)20)28-12-16(24)11-23-15-3-6-19-21(9-15)27-8-7-26-19/h3-6,9-10,16,23-24H,7-8,11-12H2,1-2H3/t16-/m0/s1