[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)COC(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C20H18ClN3O4/c21-18-14(4-3-9-22-18)20(26)27-12-17(25)24-10-7-13(8-11-24)19-23-15-5-1-2-6-16(15)28-19/h1-6,9,13H,7-8,10-12H2