7-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-3-benzyl-4-methyl-chromen-2-one CAS Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 7-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-benzyl-4-methylchromen-2-one Traditional Name: 7-[2-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]-3-benzyl-4-methyl-coumarin Formula: C26H20O6 MolecularWeight: 428.4334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H20O6/c1-16-20-9-8-19(29-14-22(27)18-7-10-23-25(12-18)31-15-30-23)13-24(20)32-26(28)21(16)11-17-5-3-2-4-6-17/h2-10,12-13H,11,14-15H2,1H3