2-ethanoyl-3-[4-(4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl)phenyl]butanoic acid

Systemtic Name: 2-ethanoyl-3-[4-(4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl)phenyl]butanoic acid Openeye Name: 2-acetyl-3-[4-(4-ethoxy-3-ethoxycarbonyl-4-oxo-butyl)phenyl]butanoic acid CAS Name: 2-acetyl-3-[4-(4-ethoxy-3-ethoxycarbonyl-4-oxobutyl)phenyl]butanoic acid IUPAC Name: 2-acetyl-3-[4-(4-ethoxy-3-ethoxycarbonyl-4-oxobutyl)phenyl]butanoic acid Traditional Name: 2-acetyl-3-[4-(3-carbethoxy-4-ethoxy-4-keto-butyl)phenyl]butyric acid Formula: C21H28O7 MolecularWeight: 392.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)C(C)C(C(=O)C)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)C(C)C(C(=O)C)C(=O)O)C(=O)OCC

InChI

InChI=1S/C21H28O7/c1-5-27-20(25)17(21(26)28-6-2)12-9-15-7-10-16(11-8-15)13(3)18(14(4)22)19(23)24/h7-8,10-11,13,17-18H,5-6,9,12H2,1-4H3,(H,23,24)