ethyl 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate

Systemtic Name: ethyl 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: ethyl 3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 3-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 3-[4-(2-pyrimidylamino)piperidino]benzoic acid ethyl ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2/c1-2-24-17(23)14-5-3-6-16(13-14)22-11-7-15(8-12-22)21-18-19-9-4-10-20-18/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H,19,20,21)