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

Systemtic Name: methyl 4-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(1-pyrimidin-2-yl-3-piperidyl)carbamoyl]benzoate CAS Name: 4-[oxo-[[1-(2-pyrimidinyl)-3-piperidinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoyl]benzoate Traditional Name: 4-[[1-(2-pyrimidyl)-3-piperidyl]carbamoyl]benzoic acid methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C18H20N4O3/c1-25-17(24)14-7-5-13(6-8-14)16(23)21-15-4-2-11-22(12-15)18-19-9-3-10-20-18/h3,5-10,15H,2,4,11-12H2,1H3,(H,21,23)