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

Systemtic Name: 3-[[(3,4-dichlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxidanylidene-propanoyl]amino]methyl]benzoic acid Openeye Name: 3-[[(3,4-dichlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]amino]methyl]benzoic acid CAS Name: 3-[[(3,4-dichlorophenyl)methyl-[3-(4-methoxy-2-pyrimidinyl)-1,3-dioxopropyl]amino]methyl]benzoic acid IUPAC Name: 3-[[(3,4-dichlorophenyl)methyl-[3-(4-methoxypyrimidin-2-yl)-3-oxopropanoyl]amino]methyl]benzoic acid Traditional Name: 3-[[(3,4-dichlorobenzyl)-[3-keto-3-(4-methoxypyrimidin-2-yl)propanoyl]amino]methyl]benzoic acid Formula: C23H19Cl2N3O5 MolecularWeight: 488.32006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=NC(=NC=C1)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H19Cl2N3O5/c1-33-20-7-8-26-22(27-20)19(29)11-21(30)28(13-15-5-6-17(24)18(25)10-15)12-14-3-2-4-16(9-14)23(31)32/h2-10H,11-13H2,1H3,(H,31,32)