2-[[3-(methylcarbamoyl)-1H-indazol-6-yl]-(oxan-2-yl)amino]benzoic acid

Systemtic Name: 2-[[3-(methylcarbamoyl)-1H-indazol-6-yl]-(oxan-2-yl)amino]benzoic acid Openeye Name: 2-[[3-(methylcarbamoyl)-1H-indazol-6-yl]-tetrahydropyran-2-yl-amino]benzoic acid CAS Name: 2-[[3-(methylcarbamoyl)-1H-indazol-6-yl]-(2-oxanyl)amino]benzoic acid IUPAC Name: 2-[[3-(methylcarbamoyl)-1H-indazol-6-yl]-(oxan-2-yl)amino]benzoic acid Traditional Name: 2-[[3-(methylcarbamoyl)-1H-indazol-6-yl]-tetrahydropyran-2-yl-amino]benzoic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NNC2=C1C=CC(=C2)N(C3CCCCO3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CNC(=O)C1=NNC2=C1C=CC(=C2)N(C3CCCCO3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H22N4O4/c1-22-20(26)19-14-10-9-13(12-16(14)23-24-19)25(18-8-4-5-11-29-18)17-7-3-2-6-15(17)21(27)28/h2-3,6-7,9-10,12,18H,4-5,8,11H2,1H3,(H,22,26)(H,23,24)(H,27,28)