tert-butyl 7,8-dimethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 7,8-dimethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 7,8-dimethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7,8-dimethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7,8-dimethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7,8-dimethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C16H24N2O4/c1-16(2,3)22-15(19)18-7-6-17-12-9-14(21-5)13(20-4)8-11(12)10-18/h8-9,17H,6-7,10H2,1-5H3