[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N2O4/c1-5-17-11-13-19(14-12-17)24-21(26)16(4)29-23(28)20(15(2)3)25-22(27)18-9-7-6-8-10-18/h6-16,20H,5H2,1-4H3,(H,24,26)(H,25,27)/t16?,20-/m0/s1