ditert-butyl 5-(2-ethoxy-1-oxidanyl-2-oxidanylidene-ethyl)-5-oxidanyl-1-oxidanylidene-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate

Systemtic Name: ditert-butyl 5-(2-ethoxy-1-oxidanyl-2-oxidanylidene-ethyl)-5-oxidanyl-1-oxidanylidene-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Openeye Name: ditert-butyl 5-(2-ethoxy-1-hydroxy-2-oxo-ethyl)-5-hydroxy-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate CAS Name: 5-(2-ethoxy-1-hydroxy-2-oxoethyl)-5-hydroxy-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 5-(2-ethoxy-1-hydroxy-2-oxoethyl)-5-hydroxy-1-oxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate Traditional Name: 5-(2-ethoxy-1-hydroxy-2-keto-ethyl)-5-hydroxy-1-keto-3,4-dihydroazepin[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester Formula: C26H34N2O9 MolecularWeight: 518.55616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCN(C(=O)C2=C1C3=CC=CC=C3N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O)O

Isomeric SMILES

CCOC(=O)C(C1(CCN(C(=O)C2=C1C3=CC=CC=C3N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C26H34N2O9/c1-8-35-21(31)19(29)26(34)13-14-27(22(32)36-24(2,3)4)20(30)18-17(26)15-11-9-10-12-16(15)28(18)23(33)37-25(5,6)7/h9-12,19,29,34H,8,13-14H2,1-7H3