2-[[[2-methyl-5-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[[2-methyl-5-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methyl-anilino]methyl]isoindoline-1,3-dione CAS Name: 2-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methylanilino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methylanilino]methyl]isoindole-1,3-dione Traditional Name: 2-[[5-[(5S,7R)-3-hydroxy-1-adamantyl]-2-methyl-anilino]methyl]isoindoline-1,3-quinone Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)O)NCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=C(C=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)NCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H28N2O3/c1-16-6-7-19(25-10-17-8-18(11-25)13-26(31,12-17)14-25)9-22(16)27-15-28-23(29)20-4-2-3-5-21(20)24(28)30/h2-7,9,17-18,27,31H,8,10-15H2,1H3/t17-,18+,25?,26?