methyl 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methylcarbamoyl]-1,2,3-triazol-1-yl]butanoate

Systemtic Name: methyl 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methylcarbamoyl]-1,2,3-triazol-1-yl]butanoate Openeye Name: methyl 4-[4-[(2-chloro-6-fluoro-phenyl)methylcarbamoyl]triazol-1-yl]butanoate CAS Name: 4-[4-[[(2-chloro-6-fluorophenyl)methylamino]-oxomethyl]-1-triazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(2-chloro-6-fluorophenyl)methylcarbamoyl]triazol-1-yl]butanoate Traditional Name: 4-[4-[(2-chloro-6-fluoro-benzyl)carbamoyl]triazol-1-yl]butyric acid methyl ester Formula: C15H16ClFN4O3 MolecularWeight: 354.763943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C=C(N=N1)C(=O)NCC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC(=O)CCCN1C=C(N=N1)C(=O)NCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C15H16ClFN4O3/c1-24-14(22)6-3-7-21-9-13(19-20-21)15(23)18-8-10-11(16)4-2-5-12(10)17/h2,4-5,9H,3,6-8H2,1H3,(H,18,23)