tert-butyl 4-[(E)-3-(2,6-dimethylphenyl)prop-2-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(2,6-dimethylphenyl)prop-2-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(2,6-dimethylphenyl)allyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-(2,6-dimethylphenyl)prop-2-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(2,6-dimethylphenyl)prop-2-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-(2,6-dimethylphenyl)allyl]piperidine-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=CCC2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)/C=C/CC2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO2/c1-16-8-6-9-17(2)19(16)11-7-10-18-12-14-22(15-13-18)20(23)24-21(3,4)5/h6-9,11,18H,10,12-15H2,1-5H3/b11-7+