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

Systemtic Name: ethanedioic acid; 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(phenylmethyl)-3H-isoindol-1-one Openeye Name: 3-benzyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one; oxalic acid CAS Name: oxalic acid; 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3-(phenylmethyl)-3H-isoindol-1-one IUPAC Name: 3-benzyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one; oxalic acid Traditional Name: 3-benzyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one; oxalic acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30N2O.C2H2O4/c32-29-27-15-8-7-14-26(27)28(22-23-10-3-1-4-11-23)31(29)19-9-18-30-20-16-25(17-21-30)24-12-5-2-6-13-24;3-1(4)2(5)6/h1-8,10-16,28H,9,17-22H2;(H,3,4)(H,5,6)