ethyl 1-[3-[(2,4-dichlorophenyl)methylcarbamoyl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2,4-dichlorophenyl)methylcarbamoyl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(2,4-dichlorophenyl)methylcarbamoyl]-1-ethyl-6-fluoro-4-oxo-7-quinolyl]piperidine-4-carboxylate CAS Name: 1-[3-[[(2,4-dichlorophenyl)methylamino]-oxomethyl]-1-ethyl-6-fluoro-4-oxo-7-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2,4-dichlorophenyl)methylcarbamoyl]-1-ethyl-6-fluoro-4-oxoquinolin-7-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2,4-dichlorobenzyl)carbamoyl]-1-ethyl-6-fluoro-4-keto-7-quinolyl]isonipecotic acid ethyl ester Formula: C27H28Cl2FN3O4 MolecularWeight: 548.433323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H28Cl2FN3O4/c1-3-32-15-20(26(35)31-14-17-5-6-18(28)11-21(17)29)25(34)19-12-22(30)24(13-23(19)32)33-9-7-16(8-10-33)27(36)37-4-2/h5-6,11-13,15-16H,3-4,7-10,14H2,1-2H3,(H,31,35)