methyl 4-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(1-pyrimidin-2-yl-3-piperidyl)amino]methyl]benzoate CAS Name: 4-[[[1-(2-pyrimidinyl)-3-piperidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-pyrimidin-2-ylpiperidin-3-yl)amino]methyl]benzoate Traditional Name: 4-[[[1-(2-pyrimidyl)-3-piperidyl]amino]methyl]benzoic acid methyl ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2CCCN(C2)C3=NC=CC=N3

InChI

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