5-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-2-[(3R)-oxolan-3-yl]oxy-benzoic acid

Systemtic Name: 5-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-2-[(3R)-oxolan-3-yl]oxy-benzoic acid Openeye Name: 5-[2-(3-methoxyanilino)pyrimidin-4-yl]-2-[(3R)-tetrahydrofuran-3-yl]oxy-benzoic acid CAS Name: 5-[2-(3-methoxyanilino)-4-pyrimidinyl]-2-[[(3R)-3-oxolanyl]oxy]benzoic acid IUPAC Name: 5-[2-(3-methoxyanilino)pyrimidin-4-yl]-2-[(3R)-oxolan-3-yl]oxybenzoic acid Traditional Name: 5-[2-(m-anisidino)pyrimidin-4-yl]-2-[(3R)-tetrahydrofuran-3-yl]oxy-benzoic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC(=C(C=C3)OC4CCOC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=CC(=C(C=C3)O[C@@H]4CCOC4)C(=O)O

InChI

InChI=1S/C22H21N3O5/c1-28-16-4-2-3-15(12-16)24-22-23-9-7-19(25-22)14-5-6-20(18(11-14)21(26)27)30-17-8-10-29-13-17/h2-7,9,11-12,17H,8,10,13H2,1H3,(H,26,27)(H,23,24,25)/t17-/m1/s1