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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-(3-chloro-4-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-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-(3-chloro-4-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=CC(=C(C=C2)C#N)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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