(Z)-but-2-enedioic acid; 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline

Systemtic Name: (Z)-but-2-enedioic acid; 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline Openeye Name: 2-(4-ethylpiperazin-1-yl)-4-phenyl-quinoline; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-(4-ethyl-1-piperazinyl)-4-phenylquinoline IUPAC Name: (Z)-but-2-enedioic acid; 2-(4-ethylpiperazin-1-yl)-4-phenylquinoline Traditional Name: 2-(4-ethylpiperazino)-4-phenyl-quinoline; maleic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3.C4H4O4/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;5-3(6)1-2-4(7)8/h3-11,16H,2,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-