4-[(3-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-fluorophenyl)methyl-(3-pyridylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid Traditional Name: 4-[(3-fluorobenzyl)-(3-pyridylmethyl)amino]-4-keto-butyric acid Formula: C17H17FN2O3 MolecularWeight: 316.326883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2O3/c18-15-5-1-3-13(9-15)11-20(16(21)6-7-17(22)23)12-14-4-2-8-19-10-14/h1-5,8-10H,6-7,11-12H2,(H,22,23)