2-methoxy-5-(2-phenylazanylpyrimidin-4-yl)benzoic acid

Systemtic Name: 2-methoxy-5-(2-phenylazanylpyrimidin-4-yl)benzoic acid Openeye Name: 5-(2-anilinopyrimidin-4-yl)-2-methoxy-benzoic acid CAS Name: 5-(2-anilino-4-pyrimidinyl)-2-methoxybenzoic acid IUPAC Name: 5-(2-anilinopyrimidin-4-yl)-2-methoxybenzoic acid Traditional Name: 5-(2-anilinopyrimidin-4-yl)-2-methoxy-benzoic acid Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H15N3O3/c1-24-16-8-7-12(11-14(16)17(22)23)15-9-10-19-18(21-15)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,22,23)(H,19,20,21)