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

Systemtic Name: 1-[2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxycarbonyl]-2-methyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]ethoxycarbonyl]-2-methyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[2-(3-bromophenyl)-5-methyl-4-oxazolyl]ethoxy-oxomethyl]-2-methyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxycarbonyl]-2-methylpiperidine-4-carboxylic acid Traditional Name: 1-[2-[2-(3-bromophenyl)-5-methyl-oxazol-4-yl]ethoxycarbonyl]-2-methyl-isonipecotic acid Formula: C20H23BrN2O5 MolecularWeight: 451.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1C(=O)OCCC2=C(OC(=N2)C3=CC(=CC=C3)Br)C)C(=O)O

Isomeric SMILES

CC1CC(CCN1C(=O)OCCC2=C(OC(=N2)C3=CC(=CC=C3)Br)C)C(=O)O

InChI

InChI=1S/C20H23BrN2O5/c1-12-10-15(19(24)25)6-8-23(12)20(26)27-9-7-17-13(2)28-18(22-17)14-4-3-5-16(21)11-14/h3-5,11-12,15H,6-10H2,1-2H3,(H,24,25)