tert-butyl 4-[3-methoxy-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-methoxy-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(isopropylamino)-2-oxo-ethoxy]-3-methoxy-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(isopropylamino)-2-keto-ethoxy]-3-methoxy-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C22H33N3O6/c1-15(2)23-19(26)14-30-17-8-7-16(13-18(17)29-6)20(27)24-9-11-25(12-10-24)21(28)31-22(3,4)5/h7-8,13,15H,9-12,14H2,1-6H3,(H,23,26)