8-azanyl-4-[(3-fluorophenyl)methylamino]quinoline-3-carboxylic acid

Systemtic Name: 8-azanyl-4-[(3-fluorophenyl)methylamino]quinoline-3-carboxylic acid Openeye Name: 8-amino-4-[(3-fluorophenyl)methylamino]quinoline-3-carboxylic acid CAS Name: 8-amino-4-[(3-fluorophenyl)methylamino]-3-quinolinecarboxylic acid IUPAC Name: 8-amino-4-[(3-fluorophenyl)methylamino]quinoline-3-carboxylic acid Traditional Name: 8-amino-4-[(3-fluorobenzyl)amino]quinoline-3-carboxylic acid Formula: C17H14FN3O2 MolecularWeight: 311.310363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CNC2=C3C=CC=C(C3=NC=C2C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)F)CNC2=C3C=CC=C(C3=NC=C2C(=O)O)N

InChI

InChI=1S/C17H14FN3O2/c18-11-4-1-3-10(7-11)8-20-15-12-5-2-6-14(19)16(12)21-9-13(15)17(22)23/h1-7,9H,8,19H2,(H,20,21)(H,22,23)