4-[[6-[(4-fluorophenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[(4-fluorophenyl)methylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[(4-fluorophenyl)methylamino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[(4-fluorophenyl)methylamino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-[(4-fluorobenzyl)amino]-3-pyridyl]amino]-4-keto-butyrate Formula: C16H15FN3O3- MolecularWeight: 316.307003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C=C2)NC(=O)CCC(=O)[O-])F

InChI

InChI=1S/C16H16FN3O3/c17-12-3-1-11(2-4-12)9-18-14-6-5-13(10-19-14)20-15(21)7-8-16(22)23/h1-6,10H,7-9H2,(H,18,19)(H,20,21)(H,22,23)/p-1