ethyl 1-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-(pyrimidin-2-ylamino)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(pyrimidin-2-ylamino)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(2-pyrimidylamino)benzoyl]nipecotic acid ethyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C19H22N4O3/c1-2-26-18(25)15-7-4-11-23(13-15)17(24)14-6-3-8-16(12-14)22-19-20-9-5-10-21-19/h3,5-6,8-10,12,15H,2,4,7,11,13H2,1H3,(H,20,21,22)