ethanedioic acid; 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-pyrrole-2,5-dione

Systemtic Name: ethanedioic acid; 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-pyrrole-2,5-dione Openeye Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenyl-pyrrole-2,5-dione; oxalic acid CAS Name: 1-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3-phenylpyrrole-2,5-dione; oxalic acid IUPAC Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-phenylpyrrole-2,5-dione; oxalic acid Traditional Name: 1-[4-[4-(2-methoxyphenyl)piperazino]butyl]-3-phenyl-3-pyrroline-2,5-quinone; oxalic acid Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C=C(C3=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C=C(C3=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O3.C2H2O4/c1-31-23-12-6-5-11-22(23)27-17-15-26(16-18-27)13-7-8-14-28-24(29)19-21(25(28)30)20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,19H,7-8,13-18H2,1H3;(H,3,4)(H,5,6)