ethanedioic acid; 2-[4-heptyl-3-(hydroxymethyl)piperazin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: ethanedioic acid; 2-[4-heptyl-3-(hydroxymethyl)piperazin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: 2-[4-heptyl-3-(hydroxymethyl)piperazin-1-yl]-1-(6-methoxy-4-quinolyl)ethanol; oxalic acid CAS Name: 2-[4-heptyl-3-(hydroxymethyl)-1-piperazinyl]-1-(6-methoxy-4-quinolinyl)ethanol; oxalic acid IUPAC Name: 2-[4-heptyl-3-(hydroxymethyl)piperazin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol; oxalic acid Traditional Name: 2-(4-heptyl-3-methylol-piperazino)-1-(6-methoxy-4-quinolyl)ethanol; oxalic acid Formula: C26H39N3O7 MolecularWeight: 505.60376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1CO)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCN1CCN(CC1CO)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H37N3O3.C2H2O4/c1-3-4-5-6-7-12-27-14-13-26(16-19(27)18-28)17-24(29)21-10-11-25-23-9-8-20(30-2)15-22(21)23;3-1(4)2(5)6/h8-11,15,19,24,28-29H,3-7,12-14,16-18H2,1-2H3;(H,3,4)(H,5,6)