2-fluoranyl-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid Openeye Name: 2-fluoro-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid CAS Name: 2-fluoro-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]-4-pyrimidinyl]benzoic acid IUPAC Name: 2-fluoro-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid Traditional Name: 2-fluoro-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC(=NC(=C2)C3=CC(=C(C=C3)F)C(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC(=NC(=C2)C3=CC(=C(C=C3)F)C(=O)O)OC

InChI

InChI=1S/C21H20FN3O4/c1-28-15-6-3-13(4-7-15)9-10-23-19-12-18(24-21(25-19)29-2)14-5-8-17(22)16(11-14)20(26)27/h3-8,11-12H,9-10H2,1-2H3,(H,26,27)(H,23,24,25)