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

Systemtic Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropylamino)-1-piperidyl]methyl]pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-[3-(2-pyrazinyl)propylamino]-1-piperidinyl]methyl]-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-phenyl-4-[[4-(3-pyrazin-2-ylpropylamino)piperidino]methyl]pyrrolidino]acetic acid Formula: C31H45N5O2 MolecularWeight: 519.7213

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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)NCCCC5=NC=CN=C5

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)NCCCC5=NC=CN=C5

InChI

InChI=1S/C31H45N5O2/c37-31(38)30(25-10-5-2-6-11-25)36-22-26(29(23-36)24-8-3-1-4-9-24)21-35-18-13-27(14-19-35)33-15-7-12-28-20-32-16-17-34-28/h1,3-4,8-9,16-17,20,25-27,29-30,33H,2,5-7,10-15,18-19,21-23H2,(H,37,38)