tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 1-(2-ethoxy-2-oxidanylidene-ethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 1-(2-ethoxy-2-oxo-ethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-(2-ethoxy-2-oxoethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-ethoxy-2-oxoethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC2=CC=CC=C21)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1CCN(CC2=CC=CC=C21)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N2O4/c1-5-23-16(21)13-19-10-11-20(17(22)24-18(2,3)4)12-14-8-6-7-9-15(14)19/h6-9H,5,10-13H2,1-4H3