1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(3-bromophenyl)-5-methyl-4-oxazolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]methyl]isonipecotic acid Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)Br)CN3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)Br)CN3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H19BrN2O3/c1-11-15(10-20-7-5-12(6-8-20)17(21)22)19-16(23-11)13-3-2-4-14(18)9-13/h2-4,9,12H,5-8,10H2,1H3,(H,21,22)