ethanedioic acid; 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-3-methoxy-3H-isoindol-1-one

Systemtic Name: ethanedioic acid; 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-3-methoxy-3H-isoindol-1-one Openeye Name: 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-3-methoxy-isoindolin-1-one; oxalic acid CAS Name: 2-[3-[4-(4-hydroxyphenyl)-1-piperazinyl]propyl]-3-methoxy-3H-isoindol-1-one; oxalic acid IUPAC Name: 2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl]-3-methoxy-3H-isoindol-1-one; oxalic acid Traditional Name: 2-[3-[4-(4-hydroxyphenyl)piperazino]propyl]-3-methoxy-isoindolin-1-one; oxalic acid Formula: C24H29N3O7 MolecularWeight: 471.50296

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC=CC=C2C(=O)N1CCCN3CCN(CC3)C4=CC=C(C=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1C2=CC=CC=C2C(=O)N1CCCN3CCN(CC3)C4=CC=C(C=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O3.C2H2O4/c1-28-22-20-6-3-2-5-19(20)21(27)25(22)12-4-11-23-13-15-24(16-14-23)17-7-9-18(26)10-8-17;3-1(4)2(5)6/h2-3,5-10,22,26H,4,11-16H2,1H3;(H,3,4)(H,5,6)