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

Systemtic Name: tert-butyl 4-[2-aminocarbonyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]amino]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)allyl]amino]phenoxy]piperidine-1-carboxylate CAS Name: 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]amino]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-carbamoyl-4-[[(E)-3-(3-cyanophenyl)prop-2-enyl]amino]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[2-carbamoyl-4-[[(E)-3-(3-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(=C3)C#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(=C3)C#N)C(=O)N

InChI

InChI=1S/C27H32N4O4/c1-27(2,3)35-26(33)31-14-11-22(12-15-31)34-24-10-9-21(17-23(24)25(29)32)30-13-5-8-19-6-4-7-20(16-19)18-28/h4-10,16-17,22,30H,11-15H2,1-3H3,(H2,29,32)/b8-5+