4-[(1S)-1-[[2-[3,4-bis(fluoranyl)phenoxy]-5-chloranyl-pyridin-3-yl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[(1S)-1-[[2-[3,4-bis(fluoranyl)phenoxy]-5-chloranyl-pyridin-3-yl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid CAS Name: 4-[(1S)-1-[[[5-chloro-2-(3,4-difluorophenoxy)-3-pyridinyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid Traditional Name: 4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)nicotinoyl]amino]ethyl]benzoic acid Formula: C21H15ClF2N2O4 MolecularWeight: 432.804606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC(=CN=C2OC3=CC(=C(C=C3)F)F)Cl

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC(=CN=C2OC3=CC(=C(C=C3)F)F)Cl

InChI

InChI=1S/C21H15ClF2N2O4/c1-11(12-2-4-13(5-3-12)21(28)29)26-19(27)16-8-14(22)10-25-20(16)30-15-6-7-17(23)18(24)9-15/h2-11H,1H3,(H,26,27)(H,28,29)/t11-/m0/s1