ditert-butyl 8-bromanyl-6-cyano-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2,5-dicarboxylate

Systemtic Name: ditert-butyl 8-bromanyl-6-cyano-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2,5-dicarboxylate Openeye Name: ditert-butyl 8-bromo-6-cyano-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2,5-dicarboxylate CAS Name: 8-bromo-6-cyano-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 8-bromo-6-cyano-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2,5-dicarboxylate Traditional Name: 8-bromo-6-cyano-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indole-2,5-dicarboxylic acid ditert-butyl ester Formula: C22H28BrN3O4 MolecularWeight: 478.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2C(C1)C3=C(N2C(=O)OC(C)(C)C)C(=CC(=C3)Br)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2C(C1)C3=C(N2C(=O)OC(C)(C)C)C(=CC(=C3)Br)C#N

InChI

InChI=1S/C22H28BrN3O4/c1-21(2,3)29-19(27)25-8-7-17-16(12-25)15-10-14(23)9-13(11-24)18(15)26(17)20(28)30-22(4,5)6/h9-10,16-17H,7-8,12H2,1-6H3