tert-butyl 4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-(2,4,5-trimethoxyphenyl)prop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-asarylacryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C21H30N2O6/c1-21(2,3)29-20(25)23-11-9-22(10-12-23)19(24)8-7-15-13-17(27-5)18(28-6)14-16(15)26-4/h7-8,13-14H,9-12H2,1-6H3/b8-7+