(3,3-dimethyl-2-oxidanylidene-butyl) 4-[[4-(2-chloranylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[[4-(2-chloranylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-[4-(2-chlorophenoxy)anilino]-4-oxo-butanoate CAS Name: 4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoate Traditional Name: 4-[4-(2-chlorophenoxy)anilino]-4-keto-butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)CCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)CCC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2Cl

InChI

InChI=1S/C22H24ClNO5/c1-22(2,3)19(25)14-28-21(27)13-12-20(26)24-15-8-10-16(11-9-15)29-18-7-5-4-6-17(18)23/h4-11H,12-14H2,1-3H3,(H,24,26)