2-[(1R)-1-(3,5-ditert-butylphenyl)-2-piperidin-1-yl-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[(1R)-1-(3,5-ditert-butylphenyl)-2-piperidin-1-yl-ethyl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-(3,5-ditert-butylphenyl)-2-(1-piperidyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[(1R)-1-(3,5-ditert-butylphenyl)-2-(1-piperidinyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[(1R)-1-(3,5-ditert-butylphenyl)-2-piperidin-1-ylethyl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-(3,5-ditert-butylphenyl)-2-piperidino-ethyl]isoindoline-1,3-quinone Formula: C29H38N2O2 MolecularWeight: 446.62422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(CN2CCCCC2)N3C(=O)C4=CC=CC=C4C3=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)[C@H](CN2CCCCC2)N3C(=O)C4=CC=CC=C4C3=O)C(C)(C)C

InChI

InChI=1S/C29H38N2O2/c1-28(2,3)21-16-20(17-22(18-21)29(4,5)6)25(19-30-14-10-7-11-15-30)31-26(32)23-12-8-9-13-24(23)27(31)33/h8-9,12-13,16-18,25H,7,10-11,14-15,19H2,1-6H3/t25-/m0/s1