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

Systemtic Name: 1-[2-[(2-chloranylphenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(2-chlorophenoxy)methyl]-4-cyano-oxazol-5-yl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(2-chlorophenoxy)methyl]-4-cyano-5-oxazolyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2-chlorophenoxy)methyl]-4-cyano-1,3-oxazol-5-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2-chlorophenoxy)methyl]-4-cyano-oxazol-5-yl]isonipecotic acid Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(N=C(O2)COC3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(N=C(O2)COC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C17H16ClN3O4/c18-12-3-1-2-4-14(12)24-10-15-20-13(9-19)16(25-15)21-7-5-11(6-8-21)17(22)23/h1-4,11H,5-8,10H2,(H,22,23)