ethanedioic acid; N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: ethanedioic acid; N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide; oxalic acid CAS Name: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]acetamide; oxalic acid IUPAC Name: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide; oxalic acid Traditional Name: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-[4-(2-methoxyphenyl)piperazino]acetamide; oxalic acid Formula: C56H70N8O16 MolecularWeight: 1111.199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C4CCCC4=NC5=C3CCCC5.COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C4CCCC4=NC5=C3CCCC5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C4CCCC4=NC5=C3CCCC5.COC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C4CCCC4=NC5=C3CCCC5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C25H32N4O2.3C2H2O4/c2*1-31-23-12-5-4-11-22(23)29-15-13-28(14-16-29)17-24(30)27-25-18-7-2-3-9-20(18)26-21-10-6-8-19(21)25;3*3-1(4)2(5)6/h2*4-5,11-12H,2-3,6-10,13-17H2,1H3,(H,26,27,30);3*(H,3,4)(H,5,6)