4-[[[1-[(4-fluoranylphenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1-[(4-fluoranylphenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-[(4-fluorophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid Formula: C19H16FN3O4 MolecularWeight: 369.346443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H16FN3O4/c20-15-5-7-16(8-6-15)27-12-23-10-9-17(22-23)18(24)21-11-13-1-3-14(4-2-13)19(25)26/h1-10H,11-12H2,(H,21,24)(H,25,26)