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

Systemtic Name: 4-[[4-[bis(fluoranyl)methoxy]phenyl]methylamino]-6-cyano-8-ethyl-quinoline-3-carboxylic acid Openeye Name: 6-cyano-4-[[4-(difluoromethoxy)phenyl]methylamino]-8-ethyl-quinoline-3-carboxylic acid CAS Name: 6-cyano-4-[[4-(difluoromethoxy)phenyl]methylamino]-8-ethyl-3-quinolinecarboxylic acid IUPAC Name: 6-cyano-4-[[4-(difluoromethoxy)phenyl]methylamino]-8-ethylquinoline-3-carboxylic acid Traditional Name: 6-cyano-4-[[4-(difluoromethoxy)benzyl]amino]-8-ethyl-quinoline-3-carboxylic acid Formula: C21H17F2N3O3 MolecularWeight: 397.374786

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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)OC(F)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17F2N3O3/c1-2-14-7-13(9-24)8-16-18(14)26-11-17(20(27)28)19(16)25-10-12-3-5-15(6-4-12)29-21(22)23/h3-8,11,21H,2,10H2,1H3,(H,25,26)(H,27,28)