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

Systemtic Name: ethanedioic acid; 3-phenyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one Openeye Name: oxalic acid; 3-phenyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one CAS Name: oxalic acid; 3-phenyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one IUPAC Name: oxalic acid; 3-phenyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one Traditional Name: oxalic acid; 3-phenyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one Formula: C30H30N2O5 MolecularWeight: 498.5696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O.C2H2O4/c31-28-26-15-8-7-14-25(26)27(24-12-5-2-6-13-24)30(28)19-9-18-29-20-16-23(17-21-29)22-10-3-1-4-11-22;3-1(4)2(5)6/h1-8,10-16,27H,9,17-21H2;(H,3,4)(H,5,6)