6-[(4-carboxy-2-ethyl-3-methyl-quinolin-6-yl)methyl]-2-ethyl-3-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-[(4-carboxy-2-ethyl-3-methyl-quinolin-6-yl)methyl]-2-ethyl-3-methyl-quinoline-4-carboxylic acid Openeye Name: 6-[(4-carboxy-2-ethyl-3-methyl-6-quinolyl)methyl]-2-ethyl-3-methyl-quinoline-4-carboxylic acid CAS Name: 6-[(4-carboxy-2-ethyl-3-methyl-6-quinolinyl)methyl]-2-ethyl-3-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-carboxy-2-ethyl-3-methylquinolin-6-yl)methyl]-2-ethyl-3-methylquinoline-4-carboxylic acid Traditional Name: 6-[(4-carboxy-2-ethyl-3-methyl-6-quinolyl)methyl]-2-ethyl-3-methyl-cinchoninic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=C(C=CC2=N1)CC3=CC4=C(C(=C(N=C4C=C3)CC)C)C(=O)O)C(=O)O)C

Isomeric SMILES

CCC1=C(C(=C2C=C(C=CC2=N1)CC3=CC4=C(C(=C(N=C4C=C3)CC)C)C(=O)O)C(=O)O)C

InChI

InChI=1S/C27H26N2O4/c1-5-20-14(3)24(26(30)31)18-12-16(7-9-22(18)28-20)11-17-8-10-23-19(13-17)25(27(32)33)15(4)21(6-2)29-23/h7-10,12-13H,5-6,11H2,1-4H3,(H,30,31)(H,32,33)