4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-fluoranyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-fluoranyl-quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-fluoro-quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-fluoro-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-fluoroquinoline-3-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-fluoro-quinoline-3-carboxylic acid Formula: C18H14ClFN2O3 MolecularWeight: 360.766763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)F)Cl

InChI

InChI=1S/C18H14ClFN2O3/c1-25-16-5-2-10(6-14(16)19)8-22-17-12-7-11(20)3-4-15(12)21-9-13(17)18(23)24/h2-7,9H,8H2,1H3,(H,21,22)(H,23,24)