ethyl 2-[4-[5-(2-bromanylethanoyl)-3-tert-butyl-2-methoxy-phenyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[5-(2-bromanylethanoyl)-3-tert-butyl-2-methoxy-phenyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[5-(2-bromoacetyl)-3-tert-butyl-2-methoxy-phenyl]piperazin-1-yl]acetate CAS Name: 2-[4-[5-(2-bromo-1-oxoethyl)-3-tert-butyl-2-methoxyphenyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[5-(2-bromoacetyl)-3-tert-butyl-2-methoxyphenyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[5-(2-bromoacetyl)-3-tert-butyl-2-methoxy-phenyl]piperazino]acetic acid ethyl ester Formula: C21H31BrN2O4 MolecularWeight: 455.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=CC(=CC(=C2OC)C(C)(C)C)C(=O)CBr

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=CC(=CC(=C2OC)C(C)(C)C)C(=O)CBr

InChI

InChI=1S/C21H31BrN2O4/c1-6-28-19(26)14-23-7-9-24(10-8-23)17-12-15(18(25)13-22)11-16(20(17)27-5)21(2,3)4/h11-12H,6-10,13-14H2,1-5H3