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

Systemtic Name: tert-butyl 4-[2-aminocarbonyl-4-[[(E)-3-(2-cyanophenyl)prop-2-enyl]amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(2-cyanophenyl)allyl]amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[2-carbamoyl-4-[[(E)-3-(2-cyanophenyl)prop-2-enyl]amino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(2-cyanophenyl)prop-2-enyl]amino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[2-carbamoyl-4-[[(E)-3-(2-cyanophenyl)allyl]amino]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4/c1-27(2,3)35-26(33)31-15-12-22(13-16-31)34-24-11-10-21(17-23(24)25(29)32)30-14-6-9-19-7-4-5-8-20(19)18-28/h4-11,17,22,30H,12-16H2,1-3H3,(H2,29,32)/b9-6+