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

Systemtic Name: ethanedioic acid; [3-oxidanylidene-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] 2-methylpropanoate Openeye Name: oxalic acid; [3-oxo-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic 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:

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

Isomeric SMILES

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

InChI

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