tert-butyl 3-ethanoyl-1-methyl-2,3,4,7-tetrahydroazepine-2-carboxylate

Systemtic Name: tert-butyl 3-ethanoyl-1-methyl-2,3,4,7-tetrahydroazepine-2-carboxylate Openeye Name: tert-butyl 3-acetyl-1-methyl-2,3,4,7-tetrahydroazepine-2-carboxylate CAS Name: 3-acetyl-1-methyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyl-1-methyl-2,3,4,7-tetrahydroazepine-2-carboxylate Traditional Name: 3-acetyl-1-methyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid tert-butyl ester Formula: C14H23NO3 MolecularWeight: 253.33732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC=CCN(C1C(=O)OC(C)(C)C)C

Isomeric SMILES

CC(=O)C1CC=CCN(C1C(=O)OC(C)(C)C)C

InChI

InChI=1S/C14H23NO3/c1-10(16)11-8-6-7-9-15(5)12(11)13(17)18-14(2,3)4/h6-7,11-12H,8-9H2,1-5H3