phenacyl 4-[[4-(2,5-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl 4-[[4-(2,5-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-[4-(2,5-dimethylphenoxy)anilino]-4-oxo-butanoate CAS Name: 4-[4-(2,5-dimethylphenoxy)anilino]-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-[4-(2,5-dimethylphenoxy)anilino]-4-oxobutanoate Traditional Name: 4-[4-(2,5-dimethylphenoxy)anilino]-4-keto-butyric acid phenacyl ester Formula: C26H25NO5 MolecularWeight: 431.4804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC=C(C=C2)NC(=O)CCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H25NO5/c1-18-8-9-19(2)24(16-18)32-22-12-10-21(11-13-22)27-25(29)14-15-26(30)31-17-23(28)20-6-4-3-5-7-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)