[[3-(quinolin-2-ylmethoxy)phenyl]amino] 2,2-diethyl-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: [[3-(quinolin-2-ylmethoxy)phenyl]amino] 2,2-diethyl-3-methyl-4-oxidanylidene-butanoate Openeye Name: [3-(2-quinolylmethoxy)anilino] 2,2-diethyl-3-methyl-4-oxo-butanoate CAS Name: 2,2-diethyl-3-methyl-4-oxobutanoic acid [3-(2-quinolinylmethoxy)anilino] ester IUPAC Name: [3-(quinolin-2-ylmethoxy)anilino] 2,2-diethyl-3-methyl-4-oxobutanoate Traditional Name: 2,2-diethyl-4-keto-3-methyl-butyric acid [3-(2-quinolylmethoxy)anilino] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C)C=O)C(=O)ONC1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(CC)(C(C)C=O)C(=O)ONC1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H28N2O4/c1-4-25(5-2,18(3)16-28)24(29)31-27-20-10-8-11-22(15-20)30-17-21-14-13-19-9-6-7-12-23(19)26-21/h6-16,18,27H,4-5,17H2,1-3H3