tert-butyl 10-bromanyl-6-(2-ethoxy-2-oxidanylidene-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 10-bromanyl-6-(2-ethoxy-2-oxidanylidene-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 10-bromo-6-(2-ethoxy-2-oxo-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 10-bromo-6-(2-ethoxy-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 10-bromo-6-(2-ethoxy-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 10-bromo-6-(2-ethoxy-2-keto-ethyl)-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C21H27BrN2O4 MolecularWeight: 451.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(CCN(CC2)C(=O)OC(C)(C)C)C3=C1C=CC=C3Br

Isomeric SMILES

CCOC(=O)CN1C2=C(CCN(CC2)C(=O)OC(C)(C)C)C3=C1C=CC=C3Br

InChI

InChI=1S/C21H27BrN2O4/c1-5-27-18(25)13-24-16-10-12-23(20(26)28-21(2,3)4)11-9-14(16)19-15(22)7-6-8-17(19)24/h6-8H,5,9-13H2,1-4H3