2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methyl-butanoic acid Openeye Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methylbutanoic acid Traditional Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-3-methyl-butyric acid Formula: C14H16BrN3O3 MolecularWeight: 354.19914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=NC(=NO1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=NC(=NO1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H16BrN3O3/c1-8(2)12(14(19)20)16-7-11-17-13(18-21-11)9-4-3-5-10(15)6-9/h3-6,8,12,16H,7H2,1-2H3,(H,19,20)