tert-butyl 4-[(E)-4-[(2-methanoyl-4,5-dimethoxy-phenyl)amino]but-2-enyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-4-[(2-methanoyl-4,5-dimethoxy-phenyl)amino]but-2-enyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-4-(2-formyl-4,5-dimethoxy-anilino)but-2-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-4-(2-formyl-4,5-dimethoxyanilino)but-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-4-(2-formyl-4,5-dimethoxyanilino)but-2-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-4-(2-formyl-4,5-dimethoxy-anilino)but-2-enyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC=CCNC2=CC(=C(C=C2C=O)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C/C=C/CNC2=CC(=C(C=C2C=O)OC)OC

InChI

InChI=1S/C22H33N3O5/c1-22(2,3)30-21(27)25-12-10-24(11-13-25)9-7-6-8-23-18-15-20(29-5)19(28-4)14-17(18)16-26/h6-7,14-16,23H,8-13H2,1-5H3/b7-6+