phenacyl 4-[[4-(2,6-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl 4-[[4-(2,6-dimethylphenoxy)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxo-butanoate CAS Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoate Traditional Name: 4-[4-(2,6-dimethylphenoxy)anilino]-4-keto-butyric acid phenacyl ester Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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