methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-7-propoxy-2,3-dihydrochromene-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-7-propoxy-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-7-propoxy-chromane-3-carboxylate CAS Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-7-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-7-propoxy-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-keto-7-propoxy-chroman-3-carboxylic acid methyl ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=O)C(C(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=O)[C@@H]([C@H](O2)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

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