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

Systemtic Name: ethyl 3-[2-methoxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoate Openeye Name: ethyl 3-[2-methoxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoate CAS Name: 3-[2-methoxy-2-[(2-pyrimidinylamino)methyl]-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-methoxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoate Traditional Name: 3-[2-methoxy-2-[(2-pyrimidylamino)methyl]pyrrolidino]benzoic acid ethyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3/c1-3-26-17(24)15-7-4-8-16(13-15)23-12-5-9-19(23,25-2)14-22-18-20-10-6-11-21-18/h4,6-8,10-11,13H,3,5,9,12,14H2,1-2H3,(H,20,21,22)