[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-15(2)21(24-20(26)13-28-18-7-5-4-6-8-18)22(27)29-14-19(25)23-17-11-9-16(3)10-12-17/h4-12,15,21H,13-14H2,1-3H3,(H,23,25)(H,24,26)/t21-/m0/s1