ethanedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynoxy)isoindole-1,3-dione

Systemtic Name: ethanedioic acid; 2-(4-pyrrolidin-1-ylbut-2-ynoxy)isoindole-1,3-dione Openeye Name: oxalic acid; 2-(4-pyrrolidin-1-ylbut-2-ynoxy)isoindoline-1,3-dione CAS Name: oxalic acid; 2-[4-(1-pyrrolidinyl)but-2-ynoxy]isoindole-1,3-dione IUPAC Name: oxalic acid; 2-(4-pyrrolidin-1-ylbut-2-ynoxy)isoindole-1,3-dione Traditional Name: oxalic acid; 2-(4-pyrrolidinobut-2-ynoxy)isoindoline-1,3-quinone Formula: C34H34N4O10 MolecularWeight: 658.65456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCON2C(=O)C3=CC=CC=C3C2=O.C1CCN(C1)CC#CCON2C(=O)C3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC#CCON2C(=O)C3=CC=CC=C3C2=O.C1CCN(C1)CC#CCON2C(=O)C3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C16H16N2O3.C2H2O4/c2*19-15-13-7-1-2-8-14(13)16(20)18(15)21-12-6-5-11-17-9-3-4-10-17;3-1(4)2(5)6/h2*1-2,7-8H,3-4,9-12H2;(H,3,4)(H,5,6)