4-azanyl-2-[[5-(4-fluoranylphenoxy)-1-(2-methylpropyl)indazol-6-yl]carbonylamino]butanoic acid

Systemtic Name: 4-azanyl-2-[[5-(4-fluoranylphenoxy)-1-(2-methylpropyl)indazol-6-yl]carbonylamino]butanoic acid Openeye Name: 4-amino-2-[[5-(4-fluorophenoxy)-1-isobutyl-indazole-6-carbonyl]amino]butanoic acid CAS Name: 4-amino-2-[[[5-(4-fluorophenoxy)-1-(2-methylpropyl)-6-indazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-amino-2-[[5-(4-fluorophenoxy)-1-(2-methylpropyl)indazole-6-carbonyl]amino]butanoic acid Traditional Name: 4-amino-2-[[5-(4-fluorophenoxy)-1-isobutyl-indazole-6-carbonyl]amino]butyric acid Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC(=C(C=C2C=N1)OC3=CC=C(C=C3)F)C(=O)NC(CCN)C(=O)O

Isomeric SMILES

CC(C)CN1C2=CC(=C(C=C2C=N1)OC3=CC=C(C=C3)F)C(=O)NC(CCN)C(=O)O

InChI

InChI=1S/C22H25FN4O4/c1-13(2)12-27-19-10-17(21(28)26-18(7-8-24)22(29)30)20(9-14(19)11-25-27)31-16-5-3-15(23)4-6-16/h3-6,9-11,13,18H,7-8,12,24H2,1-2H3,(H,26,28)(H,29,30)