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

Systemtic Name: 2-cyclohexyl-2-[3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-phenyl-4-[(4-pyrimidin-2-yloxy-1-piperidyl)methyl]pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(2-pyrimidinyloxy)-1-piperidinyl]methyl]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-phenyl-4-[(4-pyrimidin-2-yloxypiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(2-pyrimidyloxy)piperidino]methyl]pyrrolidino]acetic acid Formula: C28H38N4O3 MolecularWeight: 478.62632

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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)OC5=NC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)OC5=NC=CC=N5

InChI

InChI=1S/C28H38N4O3/c33-27(34)26(22-10-5-2-6-11-22)32-19-23(25(20-32)21-8-3-1-4-9-21)18-31-16-12-24(13-17-31)35-28-29-14-7-15-30-28/h1,3-4,7-9,14-15,22-26H,2,5-6,10-13,16-20H2,(H,33,34)