6-(dodecanoylamino)-7-methoxy-2-(4-methoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-(dodecanoylamino)-7-methoxy-2-(4-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-(dodecanoylamino)-7-methoxy-2-(4-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 7-methoxy-2-(4-methoxyphenyl)-6-(1-oxododecylamino)-4-quinolinecarboxylic acid IUPAC Name: 6-(dodecanoylamino)-7-methoxy-2-(4-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-(lauroylamino)-7-methoxy-2-(4-methoxyphenyl)cinchoninic acid Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O)OC

InChI

InChI=1S/C30H38N2O5/c1-4-5-6-7-8-9-10-11-12-13-29(33)32-27-18-23-24(30(34)35)19-25(31-26(23)20-28(27)37-3)21-14-16-22(36-2)17-15-21/h14-20H,4-13H2,1-3H3,(H,32,33)(H,34,35)