tert-butyl 7-(3,5-dimethylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-(3,5-dimethylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-(3,5-dimethylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(3,5-dimethylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(3,5-dimethylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(3,5-dimethylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CCCCCN2C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CCCCCN2C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H27NO2/c1-14-11-15(2)13-16(12-14)17-9-7-6-8-10-20(17)18(21)22-19(3,4)5/h9,11-13H,6-8,10H2,1-5H3