ethanedioic acid; (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: ethanedioic acid; (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxy-4-quinolyl)ethanol; oxalic acid CAS Name: (1R)-2-(4-hexyl-1-piperazinyl)-1-(6-methoxy-4-quinolinyl)ethanol; oxalic acid IUPAC Name: (1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol; oxalic acid Traditional Name: (1R)-2-(4-hexylpiperazino)-1-(6-methoxy-4-quinolyl)ethanol; oxalic acid Formula: C24H35N3O6 MolecularWeight: 461.5512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CC1)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCN1CCN(CC1)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H33N3O2.C2H2O4/c1-3-4-5-6-11-24-12-14-25(15-13-24)17-22(26)19-9-10-23-21-8-7-18(27-2)16-20(19)21;3-1(4)2(5)6/h7-10,16,22,26H,3-6,11-15,17H2,1-2H3;(H,3,4)(H,5,6)/t22-;/m0./s1