6-[(4-carboxylato-3-ethyl-2-propyl-quinolin-6-yl)methyl]-3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: 6-[(4-carboxylato-3-ethyl-2-propyl-quinolin-6-yl)methyl]-3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: 6-[(4-carboxylato-3-ethyl-2-propyl-6-quinolyl)methyl]-3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 6-[(4-carboxylato-3-ethyl-2-propyl-6-quinolinyl)methyl]-3-ethyl-2-propyl-4-quinolinecarboxylate IUPAC Name: 6-[(4-carboxylato-3-ethyl-2-propylquinolin-6-yl)methyl]-3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 6-[(4-carboxylato-3-ethyl-2-propyl-6-quinolyl)methyl]-3-ethyl-2-propyl-cinchoninate Formula: C31H32N2O4-2 MolecularWeight: 496.59678

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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)/p-2