3-[(1R,2R,3S,6R)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1H-indole

Systemtic Name: 3-[(1R,2R,3S,6R)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1H-indole Openeye Name: 3-[(1R,2R,3S,6R)-2-isocyano-6-isopropenyl-3-methyl-3-vinyl-cyclohexyl]-1H-indole CAS Name: 3-[(1R,2R,3S,6R)-3-ethenyl-2-isocyano-3-methyl-6-(1-methylethenyl)cyclohexyl]-1H-indole IUPAC Name: 3-[(1R,2R,3S,6R)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole Traditional Name: 3-[(1R,2R,3S,6R)-2-isocyano-6-isopropenyl-3-methyl-3-vinyl-cyclohexyl]-1H-indole Formula: C21H24N2 MolecularWeight: 304.42866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(C(C1C2=CNC3=CC=CC=C32)[N+]#[C-])(C)C=C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@@]([C@@H]([C@H]1C2=CNC3=CC=CC=C32)[N+]#[C-])(C)C=C

InChI

InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20+,21+/m0/s1