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

Systemtic Name: 3-[6-[2-(4-chlorophenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]benzoic acid Openeye Name: 3-[6-[2-(4-chlorophenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]benzoic acid CAS Name: 3-[6-[2-(4-chlorophenyl)ethylamino]-2-methoxy-4-pyrimidinyl]benzoic acid IUPAC Name: 3-[6-[2-(4-chlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid Traditional Name: 3-[6-[2-(4-chlorophenyl)ethylamino]-2-methoxy-pyrimidin-4-yl]benzoic acid Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC(=N1)NCCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

COC1=NC(=CC(=N1)NCCC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C20H18ClN3O3/c1-27-20-23-17(14-3-2-4-15(11-14)19(25)26)12-18(24-20)22-10-9-13-5-7-16(21)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,25,26)(H,22,23,24)