ditert-butyl 5-methylidene-1-oxidanylidene-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate

Systemtic Name: ditert-butyl 5-methylidene-1-oxidanylidene-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Openeye Name: ditert-butyl 5-methylene-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate CAS Name: 5-methylene-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 5-methylidene-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Traditional Name: 1-keto-5-methylene-3,4-dihydroazepin[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C)C2=C(C1=O)N(C3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C)C2=C(C1=O)N(C3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O5/c1-14-12-13-24(20(27)29-22(2,3)4)19(26)18-17(14)15-10-8-9-11-16(15)25(18)21(28)30-23(5,6)7/h8-11H,1,12-13H2,2-7H3