ethyl 3,6-ditert-butylazepine-1-carboxylate

Systemtic Name: ethyl 3,6-ditert-butylazepine-1-carboxylate Openeye Name: ethyl 3,6-ditert-butylazepine-1-carboxylate CAS Name: 3,6-ditert-butyl-1-azepinecarboxylic acid ethyl ester IUPAC Name: ethyl 3,6-ditert-butylazepine-1-carboxylate Traditional Name: 3,6-ditert-butylazepine-1-carboxylic acid ethyl ester Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C=CC(=C1)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1C=C(C=CC(=C1)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C17H27NO2/c1-8-20-15(19)18-11-13(16(2,3)4)9-10-14(12-18)17(5,6)7/h9-12H,8H2,1-7H3