4-[[6-[2-(4-fluorophenyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-[2-(4-fluorophenyl)ethylamino]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-[2-(4-fluorophenyl)ethylamino]-3-pyridyl]amino]-4-keto-butyric acid Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC=C(C=C2)NC(=O)CCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC=C(C=C2)NC(=O)CCC(=O)O)F

InChI

InChI=1S/C17H18FN3O3/c18-13-3-1-12(2-4-13)9-10-19-15-6-5-14(11-20-15)21-16(22)7-8-17(23)24/h1-6,11H,7-10H2,(H,19,20)(H,21,22)(H,23,24)