2-cyclohexyl-2-[3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propyl-amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propyl-amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propyl-amino]-1-piperidyl]methyl]pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[(4-phenyl-2-pyrimidinyl)-propylamino]-1-piperidinyl]methyl]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[(4-phenylpyrimidin-2-yl)-propyl-amino]piperidino]methyl]pyrrolidino]acetic acid Formula: C37H49N5O2 MolecularWeight: 595.81726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C5=NC=CC(=N5)C6=CC=CC=C6

Isomeric SMILES

CCCN(C1CCN(CC1)CC2CN(CC2C3=CC=CC=C3)C(C4CCCCC4)C(=O)O)C5=NC=CC(=N5)C6=CC=CC=C6

InChI

InChI=1S/C37H49N5O2/c1-2-22-42(37-38-21-18-34(39-37)29-14-8-4-9-15-29)32-19-23-40(24-20-32)25-31-26-41(27-33(31)28-12-6-3-7-13-28)35(36(43)44)30-16-10-5-11-17-30/h3-4,6-9,12-15,18,21,30-33,35H,2,5,10-11,16-17,19-20,22-27H2,1H3,(H,43,44)