3-[(1S,2R,3R,4R,6S)-4-chloranyl-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1H-indole

Systemtic Name: 3-[(1S,2R,3R,4R,6S)-4-chloranyl-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1H-indole Openeye Name: 3-[(1S,2R,3R,4R,6S)-4-chloro-2-isocyano-6-isopropenyl-3-methyl-3-vinyl-cyclohexyl]-1H-indole CAS Name: 3-[(1S,2R,3R,4R,6S)-4-chloro-3-ethenyl-2-isocyano-3-methyl-6-(1-methylethenyl)cyclohexyl]-1H-indole IUPAC Name: 3-[(1S,2R,3R,4R,6S)-4-chloro-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole Traditional Name: 3-[(1S,2R,3R,4R,6S)-4-chloro-2-isocyano-6-isopropenyl-3-methyl-3-vinyl-cyclohexyl]-1H-indole Formula: C21H23ClN2 MolecularWeight: 338.87372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(C(C(C1C2=CNC3=CC=CC=C32)[N+]#[C-])(C)C=C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2/c1-6-21(4)18(22)11-15(13(2)3)19(20(21)23-5)16-12-24-17-10-8-7-9-14(16)17/h6-10,12,15,18-20,24H,1-2,11H2,3-4H3/t15-,18-,19+,20-,21+/m1/s1