ethanedioic acid; 2-[4-(furan-2-ylmethylamino)butyl]isoindole-1,3-dione

Systemtic Name: ethanedioic acid; 2-[4-(furan-2-ylmethylamino)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-furylmethylamino)butyl]isoindoline-1,3-dione; oxalic acid CAS Name: 2-[4-(2-furanylmethylamino)butyl]isoindole-1,3-dione; oxalic acid IUPAC Name: 2-[4-(furan-2-ylmethylamino)butyl]isoindole-1,3-dione; oxalic acid Traditional Name: 2-[4-(2-furfurylamino)butyl]isoindoline-1,3-quinone; oxalic acid Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCNCC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCNCC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N2O3.C2H2O4/c20-16-14-7-1-2-8-15(14)17(21)19(16)10-4-3-9-18-12-13-6-5-11-22-13;3-1(4)2(5)6/h1-2,5-8,11,18H,3-4,9-10,12H2;(H,3,4)(H,5,6)