phenethyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxo-butanoate CAS Name: 4-[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[3-(pivaloylamino)anilino]butyric acid phenethyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)22(28)25-19-11-7-10-18(16-19)24-20(26)12-13-21(27)29-15-14-17-8-5-4-6-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,26)(H,25,28)