methyl 4-[(3-cyano-6-fluoranyl-quinolin-4-yl)amino]benzoate hydrochloride

Systemtic Name: methyl 4-[(3-cyano-6-fluoranyl-quinolin-4-yl)amino]benzoate hydrochloride Openeye Name: methyl 4-[(3-cyano-6-fluoro-4-quinolyl)amino]benzoate hydrochloride CAS Name: 4-[(3-cyano-6-fluoro-4-quinolinyl)amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(3-cyano-6-fluoroquinolin-4-yl)amino]benzoate hydrochloride Traditional Name: 4-[(3-cyano-6-fluoro-4-quinolyl)amino]benzoic acid methyl ester hydrochloride Formula: C18H13ClFN3O2 MolecularWeight: 357.766123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C#N)F.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C#N)F.Cl

InChI

InChI=1S/C18H12FN3O2.ClH/c1-24-18(23)11-2-5-14(6-3-11)22-17-12(9-20)10-21-16-7-4-13(19)8-15(16)17;/h2-8,10H,1H3,(H,21,22);1H