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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6/c1-16(2)10-11-27-24(29)15-34-26(30)19-14-21(28-20-9-7-6-8-18(19)20)17-12-22(31-3)25(33-5)23(13-17)32-4/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,27,29)