2-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-4-carboxylic acid Openeye Name: 2-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-4-carboxylic acid CAS Name: 2-[(3,4,5-trimethoxyphenyl)methylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[(3,4,5-trimethoxyphenyl)methylamino]quinoline-4-carboxylic acid Traditional Name: 2-[(3,4,5-trimethoxybenzyl)amino]cinchoninic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C20H20N2O5/c1-25-16-8-12(9-17(26-2)19(16)27-3)11-21-18-10-14(20(23)24)13-6-4-5-7-15(13)22-18/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)