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

Systemtic Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(2-acetoxyethyl)-4-(4-cyanophenyl)-4-oxo-butanoyl]phenoxy]acetic acid CAS Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-cyanophenyl)-1,4-dioxobutyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-cyanophenyl)-4-oxobutanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-(2-acetoxyethyl)-4-(4-cyanophenyl)-4-keto-butanoyl]phenoxy]acetic acid Formula: C23H21NO7 MolecularWeight: 423.41534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)C2=CC=C(C=C2)OCC(=O)O

Isomeric SMILES

CC(=O)OCCC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)C2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C23H21NO7/c1-15(25)30-11-10-19(12-21(26)17-4-2-16(13-24)3-5-17)23(29)18-6-8-20(9-7-18)31-14-22(27)28/h2-9,19H,10-12,14H2,1H3,(H,27,28)