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

Systemtic Name: 3-[[3-[(7-ethanoylquinolin-2-yl)methoxy]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[3-[(7-acetyl-2-quinolyl)methoxy]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 3-[3-[(7-acetyl-2-quinolinyl)methoxy]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 3-[3-[(7-acetylquinolin-2-yl)methoxy]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 3-[3-[(7-acetyl-2-quinolyl)methoxy]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5/c1-4-26(5-2,25(31)32)24(15-29)28-20-7-6-8-22(14-20)33-16-21-12-11-18-9-10-19(17(3)30)13-23(18)27-21/h6-15,24,28H,4-5,16H2,1-3H3,(H,31,32)