ethanedioic acid; (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5-methylhexyl)piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5-methylhexyl)piperazin-1-yl]ethanol Openeye Name: (1R)-1-(6-methoxy-4-quinolyl)-2-[4-(5-methylhexyl)piperazin-1-yl]ethanol; oxalic acid CAS Name: (1R)-1-(6-methoxy-4-quinolinyl)-2-[4-(5-methylhexyl)-1-piperazinyl]ethanol; oxalic acid IUPAC Name: (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(5-methylhexyl)piperazin-1-yl]ethanol; oxalic acid Traditional Name: (1R)-1-(6-methoxy-4-quinolyl)-2-[4-(5-methylhexyl)piperazino]ethanol; oxalic acid Formula: C25H37N3O6 MolecularWeight: 475.57778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN1CCN(CC1)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCCCN1CCN(CC1)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H35N3O2.C2H2O4/c1-18(2)6-4-5-11-25-12-14-26(15-13-25)17-23(27)20-9-10-24-22-8-7-19(28-3)16-21(20)22;3-1(4)2(5)6/h7-10,16,18,23,27H,4-6,11-15,17H2,1-3H3;(H,3,4)(H,5,6)/t23-;/m0./s1