ethanedioic acid; 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propyl-amino]butyl]isoindole-1,3-dione

Systemtic Name: ethanedioic acid; 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-methoxychroman-3-yl)-propyl-amino]butyl]isoindoline-1,3-dione; oxalic acid CAS Name: 2-[4-[(5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-propylamino]butyl]isoindole-1,3-dione; oxalic acid IUPAC Name: 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]isoindole-1,3-dione; oxalic acid Traditional Name: 2-[4-[(5-methoxychroman-3-yl)-propyl-amino]butyl]isoindoline-1,3-quinone; oxalic acid Formula: C27H32N2O8 MolecularWeight: 512.55158

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4OC)OC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4OC)OC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H30N2O4.C2H2O4/c1-3-13-26(18-16-21-22(30-2)11-8-12-23(21)31-17-18)14-6-7-15-27-24(28)19-9-4-5-10-20(19)25(27)29;3-1(4)2(5)6/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3;(H,3,4)(H,5,6)