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

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

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)CCCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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