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

Systemtic Name: tert-butyl 6-(2-ethoxy-2-oxidanylidene-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 6-(2-ethoxy-2-oxo-ethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 6-(2-ethoxy-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-ethoxy-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 6-(2-ethoxy-2-keto-ethyl)-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C31

Isomeric SMILES

CCOC(=O)CN1C2=C(CCN(CC2)C(=O)OC(C)(C)C)C3=CC=CC=C31

InChI

InChI=1S/C21H28N2O4/c1-5-26-19(24)14-23-17-9-7-6-8-15(17)16-10-12-22(13-11-18(16)23)20(25)27-21(2,3)4/h6-9H,5,10-14H2,1-4H3