[[3-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]-methyl-amino] 2,2-diethyl-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: [[3-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]-methyl-amino] 2,2-diethyl-3-methyl-4-oxidanylidene-butanoate Openeye Name: [3-[(7-fluoro-2-quinolyl)methoxy]-N-methyl-anilino] 2,2-diethyl-3-methyl-4-oxo-butanoate CAS Name: 2,2-diethyl-3-methyl-4-oxobutanoic acid [3-[(7-fluoro-2-quinolinyl)methoxy]-N-methylanilino] ester IUPAC Name: [3-[(7-fluoroquinolin-2-yl)methoxy]-N-methylanilino] 2,2-diethyl-3-methyl-4-oxobutanoate Traditional Name: 2,2-diethyl-4-keto-3-methyl-butyric acid [3-[(7-fluoro-2-quinolyl)methoxy]-N-methyl-anilino] ester Formula: C26H29FN2O4 MolecularWeight: 452.517863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C)C=O)C(=O)ON(C)C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)F)C=C2

Isomeric SMILES

CCC(CC)(C(C)C=O)C(=O)ON(C)C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)F)C=C2

InChI

InChI=1S/C26H29FN2O4/c1-5-26(6-2,18(3)16-30)25(31)33-29(4)22-8-7-9-23(15-22)32-17-21-13-11-19-10-12-20(27)14-24(19)28-21/h7-16,18H,5-6,17H2,1-4H3