(3,3-dimethyl-2-oxidanylidene-butyl) 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-keto-valeric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H31NO5/c1-17-8-6-9-18(2)24(17)31-20-14-12-19(13-15-20)26-22(28)10-7-11-23(29)30-16-21(27)25(3,4)5/h6,8-9,12-15H,7,10-11,16H2,1-5H3,(H,26,28)