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

Systemtic Name: methyl (2S,3R)-6-butoxy-2-(4-cyclopentyloxyphenyl)-4-oxidanylidene-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-6-butoxy-2-[4-(cyclopentoxy)phenyl]-4-oxo-chromane-3-carboxylate CAS Name: (2S,3R)-6-butoxy-2-(4-cyclopentyloxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-6-butoxy-2-(4-cyclopentyloxyphenyl)-4-oxo-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-6-butoxy-2-[4-(cyclopentoxy)phenyl]-4-keto-chroman-3-carboxylic acid methyl ester Formula: C26H30O6 MolecularWeight: 438.5128

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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)OC4CCCC4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)O[C@@H]([C@H](C2=O)C(=O)OC)C3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C26H30O6/c1-3-4-15-30-20-13-14-22-21(16-20)24(27)23(26(28)29-2)25(32-22)17-9-11-19(12-10-17)31-18-7-5-6-8-18/h9-14,16,18,23,25H,3-8,15H2,1-2H3/t23-,25+/m0/s1