methyl (3aR,4R,11bR)-4-acetyloxy-3-[(Z)-2-iodanylbut-2-enyl]-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate

Systemtic Name: methyl (3aR,4R,11bR)-4-acetyloxy-3-[(Z)-2-iodanylbut-2-enyl]-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate Openeye Name: methyl (3aR,4R,11bR)-4-acetoxy-3-[(Z)-2-iodobut-2-enyl]-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate CAS Name: (3aR,4R,11bR)-4-acetyloxy-3-[(Z)-2-iodobut-2-enyl]-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4R,11bR)-4-acetyloxy-3-[(Z)-2-iodobut-2-enyl]-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate Traditional Name: (3aR,4R,11bR)-4-acetoxy-3-[(Z)-2-iodobut-2-enyl]-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester Formula: C22H25IN2O4 MolecularWeight: 508.34937

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1CCC23C1C(CC(=C2NC4=CC=CC=C34)C(=O)OC)OC(=O)C)I

Isomeric SMILES

C/C=C(/CN1CC[C@@]23[C@@H]1[C@@H](CC(=C2NC4=CC=CC=C34)C(=O)OC)OC(=O)C)\I

InChI

InChI=1S/C22H25IN2O4/c1-4-14(23)12-25-10-9-22-16-7-5-6-8-17(16)24-19(22)15(21(27)28-3)11-18(20(22)25)29-13(2)26/h4-8,18,20,24H,9-12H2,1-3H3/b14-4-/t18-,20+,22+/m1/s1