2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-[2-(1H-indol-3-yl)ethylamino]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-[2-(1H-indol-3-yl)ethylamino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-[2-(1H-indol-3-yl)ethylamino]-1,4-benzoquinone CAS Name: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-[2-(1H-indol-3-yl)ethylamino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-[2-(1H-indol-3-yl)ethylamino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-[2-(1H-indol-3-yl)ethylamino]-p-benzoquinone Formula: C31H38N2O2 MolecularWeight: 470.64562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1(C)CC3=CC(=O)C(=CC3=O)NCCC4=CNC5=CC=CC=C54)CCC=C2C)C

Isomeric SMILES

C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C(=CC3=O)NCCC4=CNC5=CC=CC=C54)CCC=C2C)C

InChI

InChI=1S/C31H38N2O2/c1-20-8-7-11-29-30(20,3)14-12-21(2)31(29,4)18-23-16-28(35)26(17-27(23)34)32-15-13-22-19-33-25-10-6-5-9-24(22)25/h5-6,8-10,16-17,19,21,29,32-33H,7,11-15,18H2,1-4H3/t21-,29+,30+,31+/m0/s1