3-cyclopropyl-2-[3-[[4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid

Systemtic Name: 3-cyclopropyl-2-[3-[[4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid Openeye Name: 3-cyclopropyl-2-[3-[[4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid CAS Name: 3-cyclopropyl-2-[3-[[4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]-3-pyrazolyl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid IUPAC Name: 3-cyclopropyl-2-[3-[[4-[2-ethyl-5-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid Traditional Name: 3-cyclopropyl-2-[3-[[4-[2-ethyl-5-(4-mesylbenzyl)pyrazol-3-yl]piperidino]methyl]-4-(3-fluorophenyl)cyclopentyl]propionic acid Formula: C36H46FN3O4S MolecularWeight: 635.831543

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)CC2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)CC4CC(CC4C5=CC(=CC=C5)F)C(CC6CC6)C(=O)O

Isomeric SMILES

CCN1C(=CC(=N1)CC2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)CC4CC(CC4C5=CC(=CC=C5)F)C(CC6CC6)C(=O)O

InChI

InChI=1S/C36H46FN3O4S/c1-3-40-35(22-31(38-40)17-24-9-11-32(12-10-24)45(2,43)44)26-13-15-39(16-14-26)23-29-19-28(34(36(41)42)18-25-7-8-25)21-33(29)27-5-4-6-30(37)20-27/h4-6,9-12,20,22,25-26,28-29,33-34H,3,7-8,13-19,21,23H2,1-2H3,(H,41,42)