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

Systemtic Name: methyl (2S,3R)-6-butoxy-2-(4-butoxyphenyl)-4-oxidanylidene-2,3-dihydrochromene-3-carboxylate Openeye Name: methyl (2S,3R)-6-butoxy-2-(4-butoxyphenyl)-4-oxo-chromane-3-carboxylate CAS Name: (2S,3R)-6-butoxy-2-(4-butoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-6-butoxy-2-(4-butoxyphenyl)-4-oxo-2,3-dihydrochromene-3-carboxylate Traditional Name: (2S,3R)-6-butoxy-2-(4-butoxyphenyl)-4-keto-chroman-3-carboxylic acid methyl ester Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=CC(=C3)OCCCC)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(O2)C=CC(=C3)OCCCC)C(=O)OC

InChI

InChI=1S/C25H30O6/c1-4-6-14-29-18-10-8-17(9-11-18)24-22(25(27)28-3)23(26)20-16-19(30-15-7-5-2)12-13-21(20)31-24/h8-13,16,22,24H,4-7,14-15H2,1-3H3/t22-,24+/m0/s1