8-[1-(1,3-benzodioxol-5-yl)-3-pyrrolidin-1-yl-propyl]-5,7-dimethoxy-chromen-2-one

Systemtic Name: 8-[1-(1,3-benzodioxol-5-yl)-3-pyrrolidin-1-yl-propyl]-5,7-dimethoxy-chromen-2-one Openeye Name: 8-[1-(1,3-benzodioxol-5-yl)-3-pyrrolidin-1-yl-propyl]-5,7-dimethoxy-chromen-2-one CAS Name: 8-[1-(1,3-benzodioxol-5-yl)-3-(1-pyrrolidinyl)propyl]-5,7-dimethoxy-1-benzopyran-2-one IUPAC Name: 8-[1-(1,3-benzodioxol-5-yl)-3-pyrrolidin-1-ylpropyl]-5,7-dimethoxychromen-2-one Traditional Name: 8-[1-(1,3-benzodioxol-5-yl)-3-pyrrolidino-propyl]-5,7-dimethoxy-coumarin Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C=CC(=O)O2)C(CCN3CCCC3)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=CC(=C(C2=C1C=CC(=O)O2)C(CCN3CCCC3)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H27NO6/c1-28-20-14-22(29-2)24(25-18(20)6-8-23(27)32-25)17(9-12-26-10-3-4-11-26)16-5-7-19-21(13-16)31-15-30-19/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3