(5-methyl-1,2-oxazol-3-yl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (5-methylisoxazol-3-yl)methyl 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H19BrN2O4 MolecularWeight: 407.25846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NO1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN2O4/c1-12-10-16(20-25-12)11-24-18(23)14-6-8-21(9-7-14)17(22)13-2-4-15(19)5-3-13/h2-5,10,14H,6-9,11H2,1H3