tert-butyl 4-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,5-diethoxyanilino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(2,5-diethoxyanilino)-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,5-diethoxyanilino)-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O5/c1-6-27-16-8-9-18(28-7-2)17(14-16)22-19(25)15-23-10-12-24(13-11-23)20(26)29-21(3,4)5/h8-9,14H,6-7,10-13,15H2,1-5H3,(H,22,25)