2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-yl-phenyl)-methyl-amino]cyclopentane-1-carboxylic acid

Systemtic Name: 2-(4-fluorophenyl)-3-[(2-methoxy-5-pyridin-4-yl-phenyl)-methyl-amino]cyclopentane-1-carboxylic acid Openeye Name: 2-(4-fluorophenyl)-3-[2-methoxy-N-methyl-5-(4-pyridyl)anilino]cyclopentanecarboxylic acid CAS Name: 2-(4-fluorophenyl)-3-(2-methoxy-N-methyl-5-pyridin-4-ylanilino)-1-cyclopentanecarboxylic acid IUPAC Name: 2-(4-fluorophenyl)-3-(2-methoxy-N-methyl-5-pyridin-4-ylanilino)cyclopentane-1-carboxylic acid Traditional Name: 2-(4-fluorophenyl)-3-[2-methoxy-N-methyl-5-(4-pyridyl)anilino]cyclopentanecarboxylic acid Formula: C25H25FN2O3 MolecularWeight: 420.476003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(C1C2=CC=C(C=C2)F)C(=O)O)C3=C(C=CC(=C3)C4=CC=NC=C4)OC

Isomeric SMILES

CN(C1CCC(C1C2=CC=C(C=C2)F)C(=O)O)C3=C(C=CC(=C3)C4=CC=NC=C4)OC

InChI

InChI=1S/C25H25FN2O3/c1-28(22-15-18(5-10-23(22)31-2)16-11-13-27-14-12-16)21-9-8-20(25(29)30)24(21)17-3-6-19(26)7-4-17/h3-7,10-15,20-21,24H,8-9H2,1-2H3,(H,29,30)