ditert-butyl (2S,3aS,7aS)-3a-but-3-ynyl-6-chloranyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate

Systemtic Name: ditert-butyl (2S,3aS,7aS)-3a-but-3-ynyl-6-chloranyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate Openeye Name: ditert-butyl (2S,3aS,7aS)-3a-but-3-ynyl-6-chloro-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate CAS Name: (2S,3aS,7aS)-3a-but-3-ynyl-6-chloro-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,3aS,7aS)-3a-but-3-ynyl-6-chloro-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate Traditional Name: (2S,3aS,7aS)-3a-but-3-ynyl-6-chloro-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid ditert-butyl ester Formula: C22H32ClNO4 MolecularWeight: 409.94678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2(CCC(=CC2N1C(=O)OC(C)(C)C)Cl)CCC#C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@@]2(CCC(=C[C@@H]2N1C(=O)OC(C)(C)C)Cl)CCC#C

InChI

InChI=1S/C22H32ClNO4/c1-8-9-11-22-12-10-15(23)13-17(22)24(19(26)28-21(5,6)7)16(14-22)18(25)27-20(2,3)4/h1,13,16-17H,9-12,14H2,2-7H3/t16-,17-,22-/m0/s1