ethyl 3-[2-oxidanyl-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 3-[2-oxidanyl-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoate Openeye Name: ethyl 3-[2-hydroxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoate CAS Name: 3-[2-hydroxy-2-[(2-pyrimidinylamino)methyl]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-hydroxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoate Traditional Name: 3-[2-hydroxy-2-[(2-pyrimidylamino)methyl]pyrrolidino]benzoic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CCCC2(CNC3=NC=CC=N3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CCCC2(CNC3=NC=CC=N3)O

InChI

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