4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl-(3-pyridylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)-(3-pyridylmethyl)amino]-4-keto-butyric acid Formula: C17H16ClFN2O3 MolecularWeight: 350.771943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN(CC2=CN=CC=C2)C(=O)CCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN(CC2=CN=CC=C2)C(=O)CCC(=O)O)F

InChI

InChI=1S/C17H16ClFN2O3/c18-14-4-1-5-15(19)13(14)11-21(16(22)6-7-17(23)24)10-12-3-2-8-20-9-12/h1-5,8-9H,6-7,10-11H2,(H,23,24)