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

Systemtic Name: 6-[(4-carboxy-3-ethyl-2-propyl-quinolin-6-yl)methyl]-3-ethyl-2-propyl-quinoline-4-carboxylic acid Openeye Name: 6-[(4-carboxy-3-ethyl-2-propyl-6-quinolyl)methyl]-3-ethyl-2-propyl-quinoline-4-carboxylic acid CAS Name: 6-[(4-carboxy-3-ethyl-2-propyl-6-quinolinyl)methyl]-3-ethyl-2-propyl-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-carboxy-3-ethyl-2-propylquinolin-6-yl)methyl]-3-ethyl-2-propylquinoline-4-carboxylic acid Traditional Name: 6-[(4-carboxy-3-ethyl-2-propyl-6-quinolyl)methyl]-3-ethyl-2-propyl-cinchoninic acid Formula: C31H34N2O4 MolecularWeight: 498.61266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C=C(C=CC2=N1)CC3=CC4=C(C(=C(N=C4C=C3)CCC)CC)C(=O)O)C(=O)O)CC

Isomeric SMILES

CCCC1=C(C(=C2C=C(C=CC2=N1)CC3=CC4=C(C(=C(N=C4C=C3)CCC)CC)C(=O)O)C(=O)O)CC

InChI

InChI=1S/C31H34N2O4/c1-5-9-24-20(7-3)28(30(34)35)22-16-18(11-13-26(22)32-24)15-19-12-14-27-23(17-19)29(31(36)37)21(8-4)25(33-27)10-6-2/h11-14,16-17H,5-10,15H2,1-4H3,(H,34,35)(H,36,37)