[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-methylpropyl)quinoline-4-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(2-methylpropyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-isobutylquinoline-4-carboxylate CAS Name: 2-(2-methylpropyl)-4-quinolinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylpropyl)quinoline-4-carboxylate Traditional Name: 2-isobutylcinchoninic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C24H25NO5 MolecularWeight: 407.459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H25NO5/c1-15(2)11-17-13-19(18-7-5-6-8-20(18)25-17)24(27)30-14-21(26)16-9-10-22(28-3)23(12-16)29-4/h5-10,12-13,15H,11,14H2,1-4H3