6-chloranyl-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methyl-coumarin Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)C[C@H]3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H20ClNO4/c1-13-7-20-16(9-17(13)22)14(8-21(24)27-20)10-23(2)11-15-12-25-18-5-3-4-6-19(18)26-15/h3-9,15H,10-12H2,1-2H3/t15-/m0/s1