methyl (2S,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-6-propoxy-2,3-dihydrochromene-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-(4-methoxyphenyl)-4-oxidanylidene-6-propoxy-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-2-(4-methoxyphenyl)-4-oxo-6-propoxy-chromane-3-carboxylate CAS Name: (2S,3R)-2-(4-methoxyphenyl)-4-oxo-6-propoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(4-methoxyphenyl)-4-oxo-6-propoxy-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-4-keto-2-(4-methoxyphenyl)-6-propoxy-chroman-3-carboxylic acid methyl ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)OC(C(C2=O)C(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCOC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)C(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22O6/c1-4-11-26-15-9-10-17-16(12-15)19(22)18(21(23)25-3)20(27-17)13-5-7-14(24-2)8-6-13/h5-10,12,18,20H,4,11H2,1-3H3/t18-,20+/m0/s1