(3,3-dimethyl-2-oxidanylidene-butyl) 5-[[4-(2-chloranylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-[[4-(2-chloranylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-[4-(2-chlorophenoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(2-chlorophenoxy)anilino]-5-oxopentanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-[4-(2-chlorophenoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(2-chlorophenoxy)anilino]-5-keto-valeric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO5/c1-23(2,3)20(26)15-29-22(28)10-6-9-21(27)25-16-11-13-17(14-12-16)30-19-8-5-4-7-18(19)24/h4-5,7-8,11-14H,6,9-10,15H2,1-3H3,(H,25,27)