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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-benzamidopropanoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O6/c1-13(22-20(25)14-7-5-4-6-8-14)21(26)29-12-18-23-19(24-30-18)15-9-10-16(27-2)17(11-15)28-3/h4-11,13H,12H2,1-3H3,(H,22,25)/t13-/m0/s1