phenacyl 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: phenacyl 5-[[4-(2,6-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: phenacyl 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoic acid phenacyl ester IUPAC Name: phenacyl 5-[4-(2,6-dimethylphenoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(2,6-dimethylphenoxy)anilino]-5-keto-valeric acid phenacyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO5/c1-19-8-6-9-20(2)27(19)33-23-16-14-22(15-17-23)28-25(30)12-7-13-26(31)32-18-24(29)21-10-4-3-5-11-21/h3-6,8-11,14-17H,7,12-13,18H2,1-2H3,(H,28,30)