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

Systemtic Name: 3-[[(3,4-dichlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]methyl]benzoic acid Openeye Name: 3-[[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]methyl]benzoic acid CAS Name: 3-[[(3,4-dichlorophenyl)methyl-[1,3-dioxo-3-(2-pyrimidinyl)propyl]amino]methyl]benzoic acid IUPAC Name: 3-[[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]methyl]benzoic acid Traditional Name: 3-[[(3,4-dichlorobenzyl)-[3-keto-3-(2-pyrimidyl)propanoyl]amino]methyl]benzoic acid Formula: C22H17Cl2N3O4 MolecularWeight: 458.29408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2N3O4/c23-17-6-5-15(10-18(17)24)13-27(12-14-3-1-4-16(9-14)22(30)31)20(29)11-19(28)21-25-7-2-8-26-21/h1-10H,11-13H2,(H,30,31)