4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C26H27NO6/c1-2-16-11-20-19(13-25(29)33-23(20)14-21(16)28)15-27-7-5-17(6-8-27)26(30)18-3-4-22-24(12-18)32-10-9-31-22/h3-4,11-14,17,28H,2,5-10,15H2,1H3