tert-butyl 4-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperazine-1-carboxylate Traditional Name: 4-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31ClN2O5 MolecularWeight: 426.93424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C21H31ClN2O5/c1-14(2)13-28-18-16(22)11-15(12-17(18)27-6)19(25)23-7-9-24(10-8-23)20(26)29-21(3,4)5/h11-12,14H,7-10,13H2,1-6H3