methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-phenylmethoxy-2,3-dihydrochromene-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-phenylmethoxy-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-6-benzyloxy-4-oxo-chromane-3-carboxylate CAS Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(1,3-benzodioxol-5-yl)-4-oxo-6-phenylmethoxy-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-2-(1,3-benzodioxol-5-yl)-6-benzoxy-4-keto-chroman-3-carboxylic acid methyl ester Formula: C25H20O7 MolecularWeight: 432.4221

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OC2=C(C1=O)C=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)[C@@H]1[C@H](OC2=C(C1=O)C=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20O7/c1-28-25(27)22-23(26)18-12-17(29-13-15-5-3-2-4-6-15)8-10-19(18)32-24(22)16-7-9-20-21(11-16)31-14-30-20/h2-12,22,24H,13-14H2,1H3/t22-,24+/m0/s1