[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate CAS Name: 1-(2-pyrimidinyl)-2-piperidinecarboxylic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate Traditional Name: 1-(2-pyrimidyl)pipecolinic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=CC=C2Cl)C3=NC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NCC2=CC=CC=C2Cl)C3=NC=CC=N3

InChI

InChI=1S/C19H21ClN4O3/c20-15-7-2-1-6-14(15)12-23-17(25)13-27-18(26)16-8-3-4-11-24(16)19-21-9-5-10-22-19/h1-2,5-7,9-10,16H,3-4,8,11-13H2,(H,23,25)