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

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-15(2)16(3)26-24(28)14-32-25(29)19-13-21(27-20-9-7-6-8-18(19)20)17-10-11-22(30-4)23(12-17)31-5/h6-13,15-16H,14H2,1-5H3,(H,26,28)