2-[4-[2-(2-acetyloxyethyl)-4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]phenoxy]butanoic acid

Systemtic Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]phenoxy]butanoic acid Openeye Name: 2-[4-[2-(2-acetoxyethyl)-4-(4-cyanophenyl)-4-oxo-butanoyl]phenoxy]butanoic acid CAS Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-cyanophenyl)-1,4-dioxobutyl]phenoxy]butanoic acid IUPAC Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-cyanophenyl)-4-oxobutanoyl]phenoxy]butanoic acid Traditional Name: 2-[4-[2-(2-acetoxyethyl)-4-(4-cyanophenyl)-4-keto-butanoyl]phenoxy]butyric acid Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(CCOC(=O)C)CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(CCOC(=O)C)CC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H25NO7/c1-3-23(25(30)31)33-21-10-8-19(9-11-21)24(29)20(12-13-32-16(2)27)14-22(28)18-6-4-17(15-26)5-7-18/h4-11,20,23H,3,12-14H2,1-2H3,(H,30,31)