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

Systemtic Name: ethyl 8-chloranyl-1-cyclopropyl-7-fluoranyl-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylate Openeye Name: ethyl 5-(benzylamino)-8-chloro-1-cyclopropyl-7-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 8-chloro-1-cyclopropyl-7-fluoro-4-oxo-5-[(phenylmethyl)amino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 5-(benzylamino)-8-chloro-1-cyclopropyl-7-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=CC(=C2Cl)F)NCC3=CC=CC=C3)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=CC(=C2Cl)F)NCC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H20ClFN2O3/c1-2-29-22(28)15-12-26(14-8-9-14)20-18(21(15)27)17(10-16(24)19(20)23)25-11-13-6-4-3-5-7-13/h3-7,10,12,14,25H,2,8-9,11H2,1H3