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

Systemtic Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6,7-dimethyl-coumarin Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC[C@H]3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H21NO4/c1-13-7-17-15(9-21(23)26-20(17)8-14(13)2)10-22-11-16-12-24-18-5-3-4-6-19(18)25-16/h3-9,16,22H,10-12H2,1-2H3/t16-/m0/s1