4-[(3-chlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 4-[(3-chlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 4-[(3-chlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 4-[(3-chlorophenyl)methyl-[3-(4-methoxy-2-pyrimidinyl)-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 4-[(3-chlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]amino]benzoic acid Traditional Name: 4-[(3-chlorobenzyl)-[3-keto-3-(4-methoxypyrimidin-2-yl)propanoyl]amino]benzoic acid Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H18ClN3O5/c1-31-19-9-10-24-21(25-19)18(27)12-20(28)26(13-14-3-2-4-16(23)11-14)17-7-5-15(6-8-17)22(29)30/h2-11H,12-13H2,1H3,(H,29,30)