ethyl 7-chloranyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 5-(benzylamino)-7-chloro-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-chloro-1-cyclopropyl-6,8-difluoro-4-oxo-5-[(phenylmethyl)amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-7-chloro-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate Traditional Name: 5-(benzylamino)-7-chloro-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C22H19ClF2N2O3 MolecularWeight: 432.847666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)Cl)F)NCC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)Cl)F)NCC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H19ClF2N2O3/c1-2-30-22(29)14-11-27(13-8-9-13)20-15(21(14)28)19(17(24)16(23)18(20)25)26-10-12-6-4-3-5-7-12/h3-7,11,13,26H,2,8-10H2,1H3