phenacyl 5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: phenacyl 5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: phenacyl 5-(4-methylanilino)-5-oxo-pentanoate CAS Name: 5-(4-methylanilino)-5-oxopentanoic acid phenacyl ester IUPAC Name: phenacyl 5-(4-methylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(p-toluidino)valeric acid phenacyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-15-10-12-17(13-11-15)21-19(23)8-5-9-20(24)25-14-18(22)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,21,23)