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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CNC[C@H]3COC4=CC=CC=C4O3

InChI

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