phenacyl 5-[[4-(3,4-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: phenacyl 5-[[4-(3,4-dimethylphenoxy)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: phenacyl 5-[4-(3,4-dimethylphenoxy)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(3,4-dimethylphenoxy)anilino]-5-oxopentanoic acid phenacyl ester IUPAC Name: phenacyl 5-[4-(3,4-dimethylphenoxy)anilino]-5-oxopentanoate Traditional Name: 5-[4-(3,4-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=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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