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

Systemtic Name: ethanedioic acid; 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propyl-amino]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(5-methoxychroman-3-yl)-propyl-amino]propyl]isoindoline-1,3-dione; oxalic acid CAS Name: 2-[3-[(5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-propylamino]propyl]isoindole-1,3-dione; oxalic acid IUPAC Name: 2-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]isoindole-1,3-dione; oxalic acid Traditional Name: 2-[3-[(5-methoxychroman-3-yl)-propyl-amino]propyl]isoindoline-1,3-quinone; oxalic acid Formula: C26H30N2O8 MolecularWeight: 498.525

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4OC)OC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)C3CC4=C(C=CC=C4OC)OC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N2O4.C2H2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28;3-1(4)2(5)6/h4-6,8-11,17H,3,7,12-16H2,1-2H3;(H,3,4)(H,5,6)