tert-butyl 4-[(E)-2-(2,6-dimethyl-4-phenoxy-phenyl)ethenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-2-(2,6-dimethyl-4-phenoxy-phenyl)ethenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-(2,6-dimethyl-4-phenoxy-phenyl)vinyl]piperidine-1-carboxylate CAS Name: 4-[(E)-2-(2,6-dimethyl-4-phenoxyphenyl)ethenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-(2,6-dimethyl-4-phenoxyphenyl)ethenyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-2-(2,6-dimethyl-4-phenoxy-phenyl)vinyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=CC2CCN(CC2)C(=O)OC(C)(C)C)C)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1/C=C/C2CCN(CC2)C(=O)OC(C)(C)C)C)OC3=CC=CC=C3

InChI

InChI=1S/C26H33NO3/c1-19-17-23(29-22-9-7-6-8-10-22)18-20(2)24(19)12-11-21-13-15-27(16-14-21)25(28)30-26(3,4)5/h6-12,17-18,21H,13-16H2,1-5H3/b12-11+