tert-butyl 4-[4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(3-methoxyanilino)-2-oxo-ethoxy]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-keto-2-(m-anisidino)ethoxy]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H31N3O6/c1-25(2,3)34-24(31)28-14-12-27(13-15-28)23(30)18-8-10-20(11-9-18)33-17-22(29)26-19-6-5-7-21(16-19)32-4/h5-11,16H,12-15,17H2,1-4H3,(H,26,29)