4-[4-ethoxycarbonyl-6-oxidanyl-2-oxidanylidene-7-(5-phenylpentan-2-yl)chromen-3-yl]butanoic acid

Systemtic Name: 4-[4-ethoxycarbonyl-6-oxidanyl-2-oxidanylidene-7-(5-phenylpentan-2-yl)chromen-3-yl]butanoic acid Openeye Name: 4-[4-ethoxycarbonyl-6-hydroxy-7-(1-methyl-4-phenyl-butyl)-2-oxo-chromen-3-yl]butanoic acid CAS Name: 4-[4-ethoxycarbonyl-6-hydroxy-2-oxo-7-(5-phenylpentan-2-yl)-1-benzopyran-3-yl]butanoic acid IUPAC Name: 4-[4-ethoxycarbonyl-6-hydroxy-2-oxo-7-(5-phenylpentan-2-yl)chromen-3-yl]butanoic acid Traditional Name: 4-[4-carbethoxy-6-hydroxy-2-keto-7-(1-methyl-4-phenyl-butyl)chromen-3-yl]butyric acid Formula: C27H30O7 MolecularWeight: 466.5229

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)OC2=CC(=C(C=C21)O)C(C)CCCC3=CC=CC=C3)CCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C(=O)OC2=CC(=C(C=C21)O)C(C)CCCC3=CC=CC=C3)CCCC(=O)O

InChI

InChI=1S/C27H30O7/c1-3-33-27(32)25-19(13-8-14-24(29)30)26(31)34-23-16-20(22(28)15-21(23)25)17(2)9-7-12-18-10-5-4-6-11-18/h4-6,10-11,15-17,28H,3,7-9,12-14H2,1-2H3,(H,29,30)