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

Systemtic Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropyl)-1-piperidyl]methyl]pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[3-(2-pyrazinyl)propyl]-1-piperidinyl]methyl]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropyl)piperidino]methyl]pyrrolidino]acetic acid Formula: C31H44N4O2 MolecularWeight: 504.70666

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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)CCCC5=NC=CN=C5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)CCCC5=NC=CN=C5

InChI

InChI=1S/C31H44N4O2/c36-31(37)30(26-11-5-2-6-12-26)35-22-27(29(23-35)25-9-3-1-4-10-25)21-34-18-14-24(15-19-34)8-7-13-28-20-32-16-17-33-28/h1,3-4,9-10,16-17,20,24,26-27,29-30H,2,5-8,11-15,18-19,21-23H2,(H,36,37)