[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-benzamidopropanoate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-benzamidopropanoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-3-15-9-11-16(12-10-15)19-23-18(28-24-19)13-27-21(26)14(2)22-20(25)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,22,25)/t14-/m0/s1