tert-butyl 4,4-bis(2-ethoxy-2-oxidanylidene-ethyl)-6H-pyrrolo[1,2-a][1,4]benzodiazepine-5-carboxylate

Systemtic Name: tert-butyl 4,4-bis(2-ethoxy-2-oxidanylidene-ethyl)-6H-pyrrolo[1,2-a][1,4]benzodiazepine-5-carboxylate Openeye Name: tert-butyl 4,4-bis(2-ethoxy-2-oxo-ethyl)-6H-pyrrolo[1,2-a][1,4]benzodiazepine-5-carboxylate CAS Name: 4,4-bis(2-ethoxy-2-oxoethyl)-6H-pyrrolo[1,2-a][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4,4-bis(2-ethoxy-2-oxoethyl)-6H-pyrrolo[1,2-a][1,4]benzodiazepine-5-carboxylate Traditional Name: 4,4-bis(2-ethoxy-2-keto-ethyl)-6H-pyrrolo[1,2-a][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C2=CC=CN2C3=CC=CC=C3CN1C(=O)OC(C)(C)C)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC1(C2=CC=CN2C3=CC=CC=C3CN1C(=O)OC(C)(C)C)CC(=O)OCC

InChI

InChI=1S/C25H32N2O6/c1-6-31-21(28)15-25(16-22(29)32-7-2)20-13-10-14-26(20)19-12-9-8-11-18(19)17-27(25)23(30)33-24(3,4)5/h8-14H,6-7,15-17H2,1-5H3