2-[3-[[4-[2-(2-chloranyl-4-fluoranyl-phenyl)ethanoyl-ethyl-amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutyl-propanoic acid

Systemtic Name: 2-[3-[[4-[2-(2-chloranyl-4-fluoranyl-phenyl)ethanoyl-ethyl-amino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutyl-propanoic acid Openeye Name: 2-[3-[[4-[[2-(2-chloro-4-fluoro-phenyl)acetyl]-ethyl-amino]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutyl-propanoic acid CAS Name: 2-[3-[[4-[[2-(2-chloro-4-fluorophenyl)-1-oxoethyl]-ethylamino]-1-piperidinyl]methyl]-4-(3-fluorophenyl)-1-pyrrolidinyl]-3-cyclobutylpropanoic acid IUPAC Name: 2-[3-[[4-[[2-(2-chloro-4-fluorophenyl)acetyl]-ethylamino]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid Traditional Name: 2-[3-[[4-[[2-(2-chloro-4-fluoro-phenyl)acetyl]-ethyl-amino]piperidino]methyl]-4-(3-fluorophenyl)pyrrolidino]-3-cyclobutyl-propionic acid Formula: C33H42ClF2N3O3 MolecularWeight: 602.154686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)CC2CN(CC2C3=CC(=CC=C3)F)C(CC4CCC4)C(=O)O)C(=O)CC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

CCN(C1CCN(CC1)CC2CN(CC2C3=CC(=CC=C3)F)C(CC4CCC4)C(=O)O)C(=O)CC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C33H42ClF2N3O3/c1-2-39(32(40)17-24-9-10-27(36)18-30(24)34)28-11-13-37(14-12-28)19-25-20-38(31(33(41)42)15-22-5-3-6-22)21-29(25)23-7-4-8-26(35)16-23/h4,7-10,16,18,22,25,28-29,31H,2-3,5-6,11-15,17,19-21H2,1H3,(H,41,42)