[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NN=C(O1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O4/c1-13(2)18(23-19(26)14-6-4-3-5-7-14)21(27)28-12-17-24-25-20(29-17)15-8-10-16(22)11-9-15/h3-11,13,18H,12H2,1-2H3,(H,23,26)/t18-/m0/s1