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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5/c1-17-9-12-21(15-18(17)2)31-20-13-10-19(11-14-20)26-23(28)7-6-8-24(29)30-16-22(27)25(3,4)5/h9-15H,6-8,16H2,1-5H3,(H,26,28)