2-[(2-chloranyl-4-fluoranyl-phenyl)methylcarbamoylamino]-2-methyl-butanoic acid

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylcarbamoylamino]-2-methyl-butanoic acid Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylcarbamoylamino]-2-methyl-butanoic acid CAS Name: 2-[[[(2-chloro-4-fluorophenyl)methylamino]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)carbamoylamino]-2-methyl-butyric acid Formula: C13H16ClFN2O3 MolecularWeight: 302.729143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)NC(=O)NCC1=C(C=C(C=C1)F)Cl

Isomeric SMILES

CCC(C)(C(=O)O)NC(=O)NCC1=C(C=C(C=C1)F)Cl

InChI

InChI=1S/C13H16ClFN2O3/c1-3-13(2,11(18)19)17-12(20)16-7-8-4-5-9(15)6-10(8)14/h4-6H,3,7H2,1-2H3,(H,18,19)(H2,16,17,20)