3-[3-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[(2-benzoyl-4-chloro-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[(2-benzoyl-4-chloroanilino)-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[(2-benzoyl-4-chlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[(2-benzoyl-4-chloro-phenyl)carbamoyl]pyrazol-1-yl]propionic acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=NN(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=NN(C=C3)CCC(=O)O

InChI

InChI=1S/C20H16ClN3O4/c21-14-6-7-16(15(12-14)19(27)13-4-2-1-3-5-13)22-20(28)17-8-10-24(23-17)11-9-18(25)26/h1-8,10,12H,9,11H2,(H,22,28)(H,25,26)