phenethyl 4-[[4-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-methyl-3-(propanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-methyl-3-(propanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[4-methyl-3-(1-oxopropylamino)anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-methyl-3-(propanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-(4-methyl-3-propionamido-anilino)butyric acid phenethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

InChI

InChI=1S/C22H26N2O4/c1-3-20(25)24-19-15-18(10-9-16(19)2)23-21(26)11-12-22(27)28-14-13-17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)(H,24,25)