ethanedioic acid; N-(3-ethyl-2-propyl-quinolin-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: ethanedioic acid; N-(3-ethyl-2-propyl-quinolin-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide; oxalic acid CAS Name: N-(3-ethyl-2-propyl-4-quinolinyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]acetamide; oxalic acid IUPAC Name: N-(3-ethyl-2-propylquinolin-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide; oxalic acid Traditional Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-[4-(2-methoxyphenyl)piperazino]acetamide; oxalic acid Formula: C31H38N4O10 MolecularWeight: 626.65422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)CN3CCN(CC3)C4=CC=CC=C4OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)CN3CCN(CC3)C4=CC=CC=C4OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H34N4O2.2C2H2O4/c1-4-10-22-20(5-2)27(21-11-6-7-12-23(21)28-22)29-26(32)19-30-15-17-31(18-16-30)24-13-8-9-14-25(24)33-3;2*3-1(4)2(5)6/h6-9,11-14H,4-5,10,15-19H2,1-3H3,(H,28,29,32);2*(H,3,4)(H,5,6)