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

Systemtic Name: ethyl 4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: ethyl 4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 4-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 4-[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=C(C=C1)N2CCC(CC2)NC3=NC=CC=N3

Isomeric SMILES

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

InChI

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