tert-butyl 4-[(E)-2-(2,6-dimethylphenyl)ethenyl]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-2-(2,6-dimethylphenyl)ethenyl]azepane-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-(2,6-dimethylphenyl)vinyl]azepane-1-carboxylate CAS Name: 4-[(E)-2-(2,6-dimethylphenyl)ethenyl]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-(2,6-dimethylphenyl)ethenyl]azepane-1-carboxylate Traditional Name: 4-[(E)-2-(2,6-dimethylphenyl)vinyl]azepane-1-carboxylic acid tert-butyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C=CC2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)/C=C/C2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO2/c1-16-8-6-9-17(2)19(16)12-11-18-10-7-14-22(15-13-18)20(23)24-21(3,4)5/h6,8-9,11-12,18H,7,10,13-15H2,1-5H3/b12-11+