3-(1,3-benzodioxol-5-yl)-7-oxidanyl-8-(piperidin-1-ylmethyl)chromen-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-7-oxidanyl-8-(piperidin-1-ylmethyl)chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(1-piperidylmethyl)chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(1-piperidinylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(piperidinomethyl)coumarin Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C22H21NO5/c24-18-6-4-15-10-16(14-5-7-19-20(11-14)27-13-26-19)22(25)28-21(15)17(18)12-23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12-13H2