2-[1H-indazol-5-yl(oxan-4-ylmethyl)amino]benzoic acid

Systemtic Name: 2-[1H-indazol-5-yl(oxan-4-ylmethyl)amino]benzoic acid Openeye Name: 2-[1H-indazol-5-yl(tetrahydropyran-4-ylmethyl)amino]benzoic acid CAS Name: 2-[1H-indazol-5-yl(4-oxanylmethyl)amino]benzoic acid IUPAC Name: 2-[1H-indazol-5-yl(oxan-4-ylmethyl)amino]benzoic acid Traditional Name: 2-[1H-indazol-5-yl(tetrahydropyran-4-ylmethyl)amino]benzoic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN(C2=CC3=C(C=C2)NN=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1COCCC1CN(C2=CC3=C(C=C2)NN=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C20H21N3O3/c24-20(25)17-3-1-2-4-19(17)23(13-14-7-9-26-10-8-14)16-5-6-18-15(11-16)12-21-22-18/h1-6,11-12,14H,7-10,13H2,(H,21,22)(H,24,25)