2-[(3S)-oxolan-3-yl]oxy-5-(2-phenylazanylpyrimidin-4-yl)benzoic acid

Systemtic Name: 2-[(3S)-oxolan-3-yl]oxy-5-(2-phenylazanylpyrimidin-4-yl)benzoic acid Openeye Name: 5-(2-anilinopyrimidin-4-yl)-2-[(3S)-tetrahydrofuran-3-yl]oxy-benzoic acid CAS Name: 5-(2-anilino-4-pyrimidinyl)-2-[[(3S)-3-oxolanyl]oxy]benzoic acid IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-2-[(3S)-oxolan-3-yl]oxybenzoic acid Traditional Name: 5-(2-anilinopyrimidin-4-yl)-2-[(3S)-tetrahydrofuran-3-yl]oxy-benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=C(C=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1COC[C@H]1OC2=C(C=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H19N3O4/c25-20(26)17-12-14(6-7-19(17)28-16-9-11-27-13-16)18-8-10-22-21(24-18)23-15-4-2-1-3-5-15/h1-8,10,12,16H,9,11,13H2,(H,25,26)(H,22,23,24)/t16-/m0/s1