2-[3-[[4-[[3,4-bis(fluoranyl)phenyl]methylcarbamoyl-ethyl-amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid

Systemtic Name: 2-[3-[[4-[[3,4-bis(fluoranyl)phenyl]methylcarbamoyl-ethyl-amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexyl-ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-[[4-[(3,4-difluorophenyl)methylcarbamoyl-ethyl-amino]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-[[[(3,4-difluorophenyl)methylamino]-oxomethyl]-ethylamino]-1-piperidinyl]methyl]-4-(3-fluorophenyl)-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-[(3,4-difluorophenyl)methylcarbamoyl-ethylamino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-[[4-[(3,4-difluorobenzyl)carbamoyl-ethyl-amino]piperidino]methyl]-4-(3-fluorophenyl)pyrrolidino]acetic acid Formula: C34H45F3N4O3 MolecularWeight: 614.74131

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)CC2CN(CC2C3=CC(=CC=C3)F)C(C4CCCCC4)C(=O)O)C(=O)NCC5=CC(=C(C=C5)F)F

Isomeric SMILES

CCN(C1CCN(CC1)CC2CN(CC2C3=CC(=CC=C3)F)C(C4CCCCC4)C(=O)O)C(=O)NCC5=CC(=C(C=C5)F)F

InChI

InChI=1S/C34H45F3N4O3/c1-2-41(34(44)38-19-23-11-12-30(36)31(37)17-23)28-13-15-39(16-14-28)20-26-21-40(22-29(26)25-9-6-10-27(35)18-25)32(33(42)43)24-7-4-3-5-8-24/h6,9-12,17-18,24,26,28-29,32H,2-5,7-8,13-16,19-22H2,1H3,(H,38,44)(H,42,43)