tert-butyl 8,9-dimethoxy-3-methyl-5-oxidanyl-1-oxidanylidene-2,5-dihydro-2-benzazepine-4-carboxylate

Systemtic Name: tert-butyl 8,9-dimethoxy-3-methyl-5-oxidanyl-1-oxidanylidene-2,5-dihydro-2-benzazepine-4-carboxylate Openeye Name: tert-butyl 5-hydroxy-8,9-dimethoxy-3-methyl-1-oxo-2,5-dihydro-2-benzazepine-4-carboxylate CAS Name: 5-hydroxy-8,9-dimethoxy-3-methyl-1-oxo-2,5-dihydro-2-benzazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-8,9-dimethoxy-3-methyl-1-oxo-2,5-dihydro-2-benzazepine-4-carboxylate Traditional Name: 5-hydroxy-1-keto-8,9-dimethoxy-3-methyl-2,5-dihydro-2-benzazepine-4-carboxylic acid tert-butyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(C(=C(C=C2)OC)OC)C(=O)N1)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C2=C(C(=C(C=C2)OC)OC)C(=O)N1)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23NO6/c1-9-12(17(22)25-18(2,3)4)14(20)10-7-8-11(23-5)15(24-6)13(10)16(21)19-9/h7-8,14,20H,1-6H3,(H,19,21)