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

Systemtic Name: ethanedioic acid; 3-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one Openeye Name: 3-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one; oxalic acid CAS Name: 3-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one; oxalic acid IUPAC Name: 3-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-isoindol-1-one; oxalic acid Traditional Name: 3-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]isoindolin-1-one; oxalic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(=O)N1CCCN3CCC(=CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1C2=CC=CC=C2C(=O)N1CCCN3CCC(=CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H26N2O.C2H2O4/c1-18-21-10-5-6-11-22(21)23(26)25(18)15-7-14-24-16-12-20(13-17-24)19-8-3-2-4-9-19;3-1(4)2(5)6/h2-6,8-12,18H,7,13-17H2,1H3;(H,3,4)(H,5,6)