4-[2-(3,4-dimethoxyphenyl)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinoline-3-carboxylic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinoline-3-carboxylic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinoline-3-carboxylic acid Traditional Name: 4-(homoveratrylamino)quinoline-3-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=NC3=CC=CC=C32)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=NC3=CC=CC=C32)C(=O)O)OC

InChI

InChI=1S/C20H20N2O4/c1-25-17-8-7-13(11-18(17)26-2)9-10-21-19-14-5-3-4-6-16(14)22-12-15(19)20(23)24/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)(H,23,24)