5-azanyl-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-(3-phenylpropylamino)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenethyl-7-(3-phenylpropylamino)quinoline-3-carboxylic acid Openeye Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-(3-phenylpropylamino)quinoline-3-carboxylic acid CAS Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-(3-phenylpropylamino)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-6,8-difluoro-4-oxo-1-phenethyl-7-(3-phenylpropylamino)quinoline-3-carboxylic acid Traditional Name: 5-amino-6,8-difluoro-4-keto-1-phenethyl-7-(3-phenylpropylamino)quinoline-3-carboxylic acid Formula: C27H25F2N3O3 MolecularWeight: 477.502506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=C(C3=C(C(=C2F)N)C(=O)C(=CN3CCC4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=C(C3=C(C(=C2F)N)C(=O)C(=CN3CCC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C27H25F2N3O3/c28-21-23(30)20-25(22(29)24(21)31-14-7-12-17-8-3-1-4-9-17)32(16-19(26(20)33)27(34)35)15-13-18-10-5-2-6-11-18/h1-6,8-11,16,31H,7,12-15,30H2,(H,34,35)