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

Systemtic Name: 3-[(3,4-dichlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid Openeye Name: 3-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid CAS Name: 3-[(3,4-dichlorophenyl)methyl-[1,3-dioxo-3-(2-pyrimidinyl)propyl]amino]benzoic acid IUPAC Name: 3-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzoic acid Traditional Name: 3-[(3,4-dichlorobenzyl)-[3-keto-3-(2-pyrimidyl)propanoyl]amino]benzoic acid Formula: C21H15Cl2N3O4 MolecularWeight: 444.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3)C(=O)O

InChI

InChI=1S/C21H15Cl2N3O4/c22-16-6-5-13(9-17(16)23)12-26(15-4-1-3-14(10-15)21(29)30)19(28)11-18(27)20-24-7-2-8-25-20/h1-10H,11-12H2,(H,29,30)