4-[[3-[(7-cyanoquinolin-2-yl)methoxy]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(7-cyanoquinolin-2-yl)methoxy]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(7-cyano-2-quinolyl)methoxy]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[3-[(7-cyano-2-quinolinyl)methoxy]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[(7-cyanoquinolin-2-yl)methoxy]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[3-[(7-cyano-2-quinolyl)methoxy]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)C#N)C=C2)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)C#N)C=C2)C(=O)O

InChI

InChI=1S/C25H25N3O4/c1-3-25(4-2,24(30)31)14-23(29)28-19-6-5-7-21(13-19)32-16-20-11-10-18-9-8-17(15-26)12-22(18)27-20/h5-13H,3-4,14,16H2,1-2H3,(H,28,29)(H,30,31)