2-cyclohexyl-2-[3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(pyrimidin-2-ylamino)-1-piperidyl]methyl]pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(2-pyrimidinylamino)-1-piperidinyl]methyl]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(pyrimidin-2-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(2-pyrimidylamino)piperidino]methyl]pyrrolidino]acetic acid Formula: C28H39N5O2 MolecularWeight: 477.64156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)NC5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)NC5=NC=CC=N5

InChI

InChI=1S/C28H39N5O2/c34-27(35)26(22-10-5-2-6-11-22)33-19-23(25(20-33)21-8-3-1-4-9-21)18-32-16-12-24(13-17-32)31-28-29-14-7-15-30-28/h1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,34,35)(H,29,30,31)