3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]propyl 2-azanyl-3-methyl-butanoate

Systemtic Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoranyl-4-oxidanylidene-1H-quinolin-6-yl]propyl 2-azanyl-3-methyl-butanoate Openeye Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]propyl 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid 3-[3-[[(4-chlorophenyl)methylamino]-oxomethyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]propyl ester IUPAC Name: 3-[3-[(4-chlorophenyl)methylcarbamoyl]-8-fluoro-4-oxo-1H-quinolin-6-yl]propyl 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid 3-[3-[(4-chlorobenzyl)carbamoyl]-8-fluoro-4-keto-1H-quinolin-6-yl]propyl ester Formula: C25H27ClFN3O4 MolecularWeight: 487.950983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F)N

Isomeric SMILES

CC(C)C(C(=O)OCCCC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F)N

InChI

InChI=1S/C25H27ClFN3O4/c1-14(2)21(28)25(33)34-9-3-4-16-10-18-22(20(27)11-16)29-13-19(23(18)31)24(32)30-12-15-5-7-17(26)8-6-15/h5-8,10-11,13-14,21H,3-4,9,12,28H2,1-2H3,(H,29,31)(H,30,32)