2-cyano-2-[4-(1-cyano-2-oxidanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-cyano-2-[4-(1-cyano-2-oxidanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-benzyl-4-(1-cyano-2-hydroxy-2-oxo-ethyl)-4-piperidyl]-2-cyano-acetic acid CAS Name: 2-cyano-2-[4-(1-cyano-2-hydroxy-2-oxoethyl)-1-(phenylmethyl)-4-piperidinyl]acetic acid IUPAC Name: 2-[1-benzyl-4-(1-cyano-2-hydroxy-2-oxoethyl)piperidin-4-yl]-2-cyanoacetic acid Traditional Name: 2-[1-benzyl-4-(1-cyano-2-hydroxy-2-keto-ethyl)-4-piperidyl]-2-cyano-acetic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(C#N)C(=O)O)C(C#N)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1(C(C#N)C(=O)O)C(C#N)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O4/c19-10-14(16(22)23)18(15(11-20)17(24)25)6-8-21(9-7-18)12-13-4-2-1-3-5-13/h1-5,14-15H,6-9,12H2,(H,22,23)(H,24,25)