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

Systemtic Name: phenethyl 4-[[4-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(3-methylbutanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-[4-(isovalerylamino)anilino]-4-keto-butyric acid phenethyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-17(2)16-22(27)25-20-10-8-19(9-11-20)24-21(26)12-13-23(28)29-15-14-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,24,26)(H,25,27)