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

Systemtic Name: tert-butyl 4-[4-[[(E)-3-(2-cyanophenyl)prop-2-enyl]amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(E)-3-(2-cyanophenyl)allyl]amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[[(E)-3-(2-cyanophenyl)prop-2-enyl]amino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-3-(2-cyanophenyl)prop-2-enyl]amino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[[(E)-3-(2-cyanophenyl)allyl]amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)NCC=CC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)NC/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C26H31N3O3/c1-26(2,3)32-25(30)29-17-14-24(15-18-29)31-23-12-10-22(11-13-23)28-16-6-9-20-7-4-5-8-21(20)19-27/h4-13,24,28H,14-18H2,1-3H3/b9-6+