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

Systemtic Name: methyl (2S,3R)-6-butoxy-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-6-butoxy-2-(4-methoxyphenyl)-4-oxo-chromane-3-carboxylate CAS Name: (2S,3R)-6-butoxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-6-butoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-6-butoxy-4-keto-2-(4-methoxyphenyl)chroman-3-carboxylic acid methyl ester Formula: C22H24O6 MolecularWeight: 384.42236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(C(C2=O)C(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)C(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24O6/c1-4-5-12-27-16-10-11-18-17(13-16)20(23)19(22(24)26-3)21(28-18)14-6-8-15(25-2)9-7-14/h6-11,13,19,21H,4-5,12H2,1-3H3/t19-,21+/m0/s1