tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methyl-amino]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methyl-amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-methyl-amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methylamino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]-methylamino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(3-cyanophenyl)allyl]-methyl-amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N(C)CC=CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N(C)C/C=C/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C27H33N3O3/c1-27(2,3)33-26(31)30-17-14-25(15-18-30)32-24-12-10-23(11-13-24)29(4)16-6-9-21-7-5-8-22(19-21)20-28/h5-13,19,25H,14-18H2,1-4H3/b9-6+