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

Systemtic Name: ethyl 4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 4-[3-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 4-[3-(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)N2CCCC(C2)NC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCCC(C2)NC3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2/c1-2-24-17(23)14-6-8-16(9-7-14)22-12-3-5-15(13-22)21-18-19-10-4-11-20-18/h4,6-11,15H,2-3,5,12-13H2,1H3,(H,19,20,21)