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

Systemtic Name: ethanedioic acid; [3-oxidanylidene-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] 2-phenylethanoate Openeye Name: oxalic acid; [3-oxo-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-yl] 2-phenylacetate CAS Name: oxalic acid; 2-phenylacetic acid [3-oxo-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] ester IUPAC Name: oxalic acid; [3-oxo-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-isoindol-1-yl] 2-phenylacetate Traditional Name: oxalic acid; 2-phenylacetic acid [3-keto-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-yl] ester Formula: C32H32N2O7 MolecularWeight: 556.60568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCCN3C(C4=CC=CC=C4C3=O)OC(=O)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCCN3C(C4=CC=CC=C4C3=O)OC(=O)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H30N2O3.C2H2O4/c33-28(22-23-10-3-1-4-11-23)35-30-27-15-8-7-14-26(27)29(34)32(30)19-9-18-31-20-16-25(17-21-31)24-12-5-2-6-13-24;3-1(4)2(5)6/h1-8,10-16,30H,9,17-22H2;(H,3,4)(H,5,6)