3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid Openeye Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid CAS Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]-4-pyrimidinyl]benzoic acid IUPAC Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid Traditional Name: 3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-27-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)28-2)15-4-3-5-16(12-15)20(25)26/h3-9,12-13H,10-11H2,1-2H3,(H,25,26)(H,22,23,24)