ethanedioic acid; (1S)-2-(4-heptylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: ethanedioic acid; (1S)-2-(4-heptylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: (1S)-2-(4-heptylpiperazin-1-yl)-1-(6-methoxy-4-quinolyl)ethanol; oxalic acid CAS Name: (1S)-2-(4-heptyl-1-piperazinyl)-1-(6-methoxy-4-quinolinyl)ethanol; oxalic acid IUPAC Name: (1S)-2-(4-heptylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol; oxalic acid Traditional Name: (1S)-2-(4-heptylpiperazino)-1-(6-methoxy-4-quinolyl)ethanol; oxalic acid Formula: C25H37N3O6 MolecularWeight: 475.57778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)CC(C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCN1CCN(CC1)C[C@H](C2=C3C=C(C=CC3=NC=C2)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H35N3O2.C2H2O4/c1-3-4-5-6-7-12-25-13-15-26(16-14-25)18-23(27)20-10-11-24-22-9-8-19(28-2)17-21(20)22;3-1(4)2(5)6/h8-11,17,23,27H,3-7,12-16,18H2,1-2H3;(H,3,4)(H,5,6)/t23-;/m1./s1