[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H19ClN4O4/c23-16-6-5-15(12-24)18(11-16)25-20(28)13-30-21(29)14-7-9-27(10-8-14)22-26-17-3-1-2-4-19(17)31-22/h1-6,11,14H,7-10,13H2,(H,25,28)