3-[2-methoxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[2-methoxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[2-methoxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid CAS Name: 3-[2-methoxy-2-[(2-pyrimidinylamino)methyl]-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[2-methoxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoic acid Traditional Name: 3-[2-methoxy-2-[(2-pyrimidylamino)methyl]pyrrolidino]benzoic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCN1C2=CC=CC(=C2)C(=O)O)CNC3=NC=CC=N3

Isomeric SMILES

COC1(CCCN1C2=CC=CC(=C2)C(=O)O)CNC3=NC=CC=N3

InChI

InChI=1S/C17H20N4O3/c1-24-17(12-20-16-18-8-4-9-19-16)7-3-10-21(17)14-6-2-5-13(11-14)15(22)23/h2,4-6,8-9,11H,3,7,10,12H2,1H3,(H,22,23)(H,18,19,20)