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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(1-pyrrolidinylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-(pyrrolidinomethyl)coumarin Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C21H19NO5/c23-17-5-3-14-9-15(13-4-6-18-19(10-13)26-12-25-18)21(24)27-20(14)16(17)11-22-7-1-2-8-22/h3-6,9-10,23H,1-2,7-8,11-12H2