5-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]pent-4-ynoic acid

Systemtic Name: 5-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]pent-4-ynoic acid Openeye Name: 5-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]pent-4-ynoic acid CAS Name: 5-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]-4-pentynoic acid IUPAC Name: 5-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]pent-4-ynoic acid Traditional Name: 5-[3-[(4-chlorobenzyl)carbamoyl]-8-fluoro-4-keto-1H-quinolin-6-yl]pent-4-ynoic acid Formula: C22H16ClFN2O4 MolecularWeight: 426.824843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3F)C#CCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3F)C#CCCC(=O)O)Cl

InChI

InChI=1S/C22H16ClFN2O4/c23-15-7-5-13(6-8-15)11-26-22(30)17-12-25-20-16(21(17)29)9-14(10-18(20)24)3-1-2-4-19(27)28/h5-10,12H,2,4,11H2,(H,25,29)(H,26,30)(H,27,28)