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

Systemtic Name: 4-[(3-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-fluorophenyl)methyl-(3-pyridylmethyl)amino]-4-oxo-butanoate CAS Name: 4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoate Traditional Name: 4-[(3-fluorobenzyl)-(3-pyridylmethyl)amino]-4-keto-butyrate Formula: C17H16FN2O3- MolecularWeight: 315.318943

Click to see the large picture

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)/p-1