ethanedioic acid; [3-oxidanylidene-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] butanoate

Systemtic Name: ethanedioic acid; [3-oxidanylidene-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] butanoate Openeye Name: oxalic acid; [3-oxo-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-yl] butanoate CAS Name: butanoic acid [3-oxo-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] ester; oxalic acid IUPAC Name: oxalic acid; [3-oxo-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] butanoate Traditional Name: butyric acid [3-keto-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-yl] ester; oxalic acid Formula: C28H32N2O7 MolecularWeight: 508.56288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C2=CC=CC=C2C(=O)N1CCCN3CCC(=CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC(=O)OC1C2=CC=CC=C2C(=O)N1CCCN3CCC(=CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30N2O3.C2H2O4/c1-2-9-24(29)31-26-23-13-7-6-12-22(23)25(30)28(26)17-8-16-27-18-14-21(15-19-27)20-10-4-3-5-11-20;3-1(4)2(5)6/h3-7,10-14,26H,2,8-9,15-19H2,1H3;(H,3,4)(H,5,6)