O1-tert-butyl O2-methyl (2S,3aS,7aS)-6-bromanyl-3a-but-3-ynyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,3aS,7aS)-6-bromanyl-3a-but-3-ynyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,3aS,7aS)-6-bromo-3a-but-3-ynyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate CAS Name: (2S,3aS,7aS)-6-bromo-3a-but-3-ynyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,3aS,7aS)-6-bromo-3a-but-3-ynyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylate Traditional Name: (2S,3aS,7aS)-6-bromo-3a-but-3-ynyl-3,4,5,7a-tetrahydro-2H-indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C19H26BrNO4 MolecularWeight: 412.31804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC2(C1C=C(CC2)Br)CCC#C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C[C@]2([C@@H]1C=C(CC2)Br)CCC#C)C(=O)OC

InChI

InChI=1S/C19H26BrNO4/c1-6-7-9-19-10-8-13(20)11-15(19)21(14(12-19)16(22)24-5)17(23)25-18(2,3)4/h1,11,14-15H,7-10,12H2,2-5H3/t14-,15-,19-/m0/s1