[2-(butylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C25H28N2O6 MolecularWeight: 452.49962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H28N2O6/c1-5-6-11-26-23(28)15-33-25(29)18-14-20(27-19-10-8-7-9-17(18)19)16-12-21(30-2)24(32-4)22(13-16)31-3/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,26,28)