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

Systemtic Name: ethanedioic acid; 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(5-methoxychroman-3-yl)amino]butyl]isoindoline-1,3-dione; oxalic acid CAS Name: 2-[4-[(5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)amino]butyl]isoindole-1,3-dione; oxalic acid IUPAC Name: 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]isoindole-1,3-dione; oxalic acid Traditional Name: 2-[4-[(5-methoxychroman-3-yl)amino]butyl]isoindoline-1,3-quinone; oxalic acid Formula: C24H26N2O8 MolecularWeight: 470.47184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CC(CO2)NCCCCN3C(=O)C4=CC=CC=C4C3=O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC2=C1CC(CO2)NCCCCN3C(=O)C4=CC=CC=C4C3=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H24N2O4.C2H2O4/c1-27-19-9-6-10-20-18(19)13-15(14-28-20)23-11-4-5-12-24-21(25)16-7-2-3-8-17(16)22(24)26;3-1(4)2(5)6/h2-3,6-10,15,23H,4-5,11-14H2,1H3;(H,3,4)(H,5,6)