3-[2-(oxan-4-ylcarbonylamino)pyridin-4-yl]-5-phenylazanyl-benzoic acid

Systemtic Name: 3-[2-(oxan-4-ylcarbonylamino)pyridin-4-yl]-5-phenylazanyl-benzoic acid Openeye Name: 3-anilino-5-[2-(tetrahydropyran-4-carbonylamino)-4-pyridyl]benzoic acid CAS Name: 3-anilino-5-[2-[[4-oxanyl(oxo)methyl]amino]-4-pyridinyl]benzoic acid IUPAC Name: 3-anilino-5-[2-(oxane-4-carbonylamino)pyridin-4-yl]benzoic acid Traditional Name: 3-anilino-5-[2-(tetrahydropyran-4-carbonylamino)-4-pyridyl]benzoic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)NC2=NC=CC(=C2)C3=CC(=CC(=C3)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1COCCC1C(=O)NC2=NC=CC(=C2)C3=CC(=CC(=C3)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H23N3O4/c28-23(16-7-10-31-11-8-16)27-22-15-17(6-9-25-22)18-12-19(24(29)30)14-21(13-18)26-20-4-2-1-3-5-20/h1-6,9,12-16,26H,7-8,10-11H2,(H,29,30)(H,25,27,28)