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

Systemtic Name: methyl 3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Openeye Name: methyl 3-methoxy-4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoate CAS Name: 3-methoxy-4-[4-(2-pyrimidinylamino)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate Traditional Name: 3-methoxy-4-[4-(2-pyrimidylamino)piperidino]benzoic acid methyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)N2CCC(CC2)NC3=NC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)N2CCC(CC2)NC3=NC=CC=N3

InChI

InChI=1S/C18H22N4O3/c1-24-16-12-13(17(23)25-2)4-5-15(16)22-10-6-14(7-11-22)21-18-19-8-3-9-20-18/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,19,20,21)