tert-butyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-phenyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=CC=C2

InChI

InChI=1S/C17H23NO2/c1-17(2,3)20-16(19)18-13-9-5-8-12-15(18)14-10-6-4-7-11-14/h4,6-7,10-12H,5,8-9,13H2,1-3H3