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

Systemtic Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic 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] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-15-8-10-18(11-9-15)19-13-21(28-24-19)23-20(25)14-27-22(26)12-16(2)17-6-4-3-5-7-17/h3-11,13,16H,12,14H2,1-2H3,(H,23,25)/t16-/m0/s1