methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-5-propoxy-2,3-dihydrochromene-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-5-propoxy-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-5-propoxy-chromane-3-carboxylate CAS Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-5-propoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-5-propoxy-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-keto-5-propoxy-chroman-3-carboxylic acid methyl ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(=O)C(C(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCCOC1=CC=CC2=C1C(=O)[C@@H]([C@H](O2)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C21H20O7/c1-3-9-25-14-5-4-6-15-17(14)19(22)18(21(23)24-2)20(28-15)12-7-8-13-16(10-12)27-11-26-13/h4-8,10,18,20H,3,9,11H2,1-2H3/t18-,20+/m0/s1