4-[[3,4-bis(fluoranyl)phenyl]methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Openeye Name: 6-cyano-4-[(3,4-difluorophenyl)methylamino]-8-ethyl-quinoline-3-carboxylic acid CAS Name: 6-cyano-4-[(3,4-difluorophenyl)methylamino]-8-ethyl-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-4-[(3,4-difluorophenyl)methylamino]-8-ethylquinoline-3-carboxylic acid Traditional Name: 6-cyano-4-[(3,4-difluorobenzyl)amino]-8-ethyl-quinoline-3-carboxylic acid Formula: C20H15F2N3O2 MolecularWeight: 367.348806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC(=C(C=C3)F)F)C#N

Isomeric SMILES

CCC1=CC(=CC2=C(C(=CN=C12)C(=O)O)NCC3=CC(=C(C=C3)F)F)C#N

InChI

InChI=1S/C20H15F2N3O2/c1-2-13-5-12(8-23)6-14-18(13)25-10-15(20(26)27)19(14)24-9-11-3-4-16(21)17(22)7-11/h3-7,10H,2,9H2,1H3,(H,24,25)(H,26,27)