3-[4-[(3,4-dichlorophenyl)carbonylamino]phenyl]-2-pyrimidin-5-yl-propanoic acid

Systemtic Name: 3-[4-[(3,4-dichlorophenyl)carbonylamino]phenyl]-2-pyrimidin-5-yl-propanoic acid Openeye Name: 3-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-2-pyrimidin-5-yl-propanoic acid CAS Name: 3-[4-[[(3,4-dichlorophenyl)-oxomethyl]amino]phenyl]-2-(5-pyrimidinyl)propanoic acid IUPAC Name: 3-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-2-pyrimidin-5-ylpropanoic acid Traditional Name: 3-[4-[(3,4-dichlorobenzoyl)amino]phenyl]-2-(5-pyrimidyl)propionic acid Formula: C20H15Cl2N3O3 MolecularWeight: 416.2574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C2=CN=CN=C2)C(=O)O)NC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(C2=CN=CN=C2)C(=O)O)NC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H15Cl2N3O3/c21-17-6-3-13(8-18(17)22)19(26)25-15-4-1-12(2-5-15)7-16(20(27)28)14-9-23-11-24-10-14/h1-6,8-11,16H,7H2,(H,25,26)(H,27,28)