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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O6/c1-33-24-13-19(14-25(34-2)27(24)35-3)23-15-21(20-11-7-8-12-22(20)30-23)28(32)36-17-26(31)29-16-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,29,31)