methyl (3aR,4S,11bS)-3-(3-chloranylpropanoyl)-4-ethanoyl-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate

Systemtic Name: methyl (3aR,4S,11bS)-3-(3-chloranylpropanoyl)-4-ethanoyl-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate Openeye Name: methyl (3aR,4S,11bS)-4-acetyl-3-(3-chloropropanoyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate CAS Name: (3aR,4S,11bS)-4-acetyl-3-(3-chloro-1-oxopropyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4S,11bS)-4-acetyl-3-(3-chloropropanoyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate Traditional Name: (3aR,4S,11bS)-4-acetyl-3-(3-chloropropanoyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(=C2C3(C1N(CC3)C(=O)CCCl)C4=CC=CC=C4N2)C(=O)OC

Isomeric SMILES

CC(=O)[C@H]1CC(=C2[C@]3([C@@H]1N(CC3)C(=O)CCCl)C4=CC=CC=C4N2)C(=O)OC

InChI

InChI=1S/C21H23ClN2O4/c1-12(25)13-11-14(20(27)28-2)18-21(15-5-3-4-6-16(15)23-18)8-10-24(19(13)21)17(26)7-9-22/h3-6,13,19,23H,7-11H2,1-2H3/t13-,19-,21-/m1/s1