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

Systemtic Name: 6-chloranyl-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methyl-coumarin Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNCC3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO4/c1-12-6-19-15(8-16(12)21)13(7-20(23)26-19)9-22-10-14-11-24-17-4-2-3-5-18(17)25-14/h2-8,14,22H,9-11H2,1H3/t14-/m0/s1