[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H22N2O5/c1-14(2)11-22(28)24-16-9-7-15(8-10-16)21(27)13-30-23(29)19-12-20(26)17-5-3-4-6-18(17)25-19/h3-10,12,14H,11,13H2,1-2H3,(H,24,28)(H,25,26)