3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]prop-2-ynyl methanoate

Systemtic Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]prop-2-ynyl methanoate Openeye Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]prop-2-ynyl formate CAS Name: formic acid 3-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]prop-2-ynyl ester IUPAC Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]prop-2-ynyl formate Traditional Name: formic acid 3-[3-[(4-chlorobenzyl)carbamoyl]-8-fluoro-4-keto-1H-quinolin-6-yl]prop-2-ynyl ester Formula: C21H14ClFN2O4 MolecularWeight: 412.798263

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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#CCOC=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClFN2O4/c22-15-5-3-13(4-6-15)10-25-21(28)17-11-24-19-16(20(17)27)8-14(9-18(19)23)2-1-7-29-12-26/h3-6,8-9,11-12H,7,10H2,(H,24,27)(H,25,28)