[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-14-8-10-16(11-9-14)18-12-20(30-25-18)24-19(26)13-29-22(28)15(2)23-21(27)17-6-4-3-5-7-17/h3-12,15H,13H2,1-2H3,(H,23,27)(H,24,26)/t15-/m0/s1