3-(1,3-benzodioxol-5-yl)-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-(1-pyrrolidinylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-(pyrrolidin-1-ylmethyl)chromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-8-(pyrrolidinomethyl)coumarin Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCCC3)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCCC3)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21NO5/c1-13-15-5-6-17(24)16(11-23-8-2-3-9-23)21(15)28-22(25)20(13)14-4-7-18-19(10-14)27-12-26-18/h4-7,10,24H,2-3,8-9,11-12H2,1H3