2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-methoxy-3-quinolinecarboxylic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-7-methoxyquinoline-3-carboxylic acid Traditional Name: 2-(homoveratrylamino)-7-methoxy-quinoline-3-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-26-15-6-5-14-11-16(21(24)25)20(23-17(14)12-15)22-9-8-13-4-7-18(27-2)19(10-13)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)(H,24,25)