tert-butyl 4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29BrN2O5 MolecularWeight: 457.35866

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C20H29BrN2O5/c1-6-11-27-17-15(21)12-14(13-16(17)26-5)18(24)22-7-9-23(10-8-22)19(25)28-20(2,3)4/h12-13H,6-11H2,1-5H3