3-(1,3-benzodioxol-5-yl)-8-[[methyl-(phenylmethyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-8-[[methyl-(phenylmethyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-8-[[benzyl(methyl)amino]methyl]-7-hydroxy-chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[[methyl-(phenylmethyl)amino]methyl]-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-8-[[benzyl(methyl)amino]methyl]-7-hydroxychromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-8-[[benzyl(methyl)amino]methyl]-7-hydroxy-coumarin Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H21NO5/c1-26(13-16-5-3-2-4-6-16)14-20-21(27)9-7-18-11-19(25(28)31-24(18)20)17-8-10-22-23(12-17)30-15-29-22/h2-12,27H,13-15H2,1H3