ethanedioic acid; 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline

Systemtic Name: ethanedioic acid; 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline Openeye Name: 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline; oxalic acid CAS Name: 2-(4-ethyl-1-piperazinyl)-4-phenylquinoline; oxalic acid IUPAC Name: 2-(4-ethylpiperazin-1-yl)-4-phenylquinoline; oxalic acid Traditional Name: 2-(4-ethylpiperazino)-4-phenyl-quinoline; oxalic acid Formula: C25H27N3O8 MolecularWeight: 497.49718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3.2C2H2O4/c1-2-23-12-14-24(15-13-23)21-16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)22-21;2*3-1(4)2(5)6/h3-11,16H,2,12-15H2,1H3;2*(H,3,4)(H,5,6)