butan-2-yl 2-[1-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butan-2-yl 2-[1-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[2-(2-bromo-4-ethyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-ethyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OC(C)CC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CCNC(=O)C2CC(=O)OC(C)CC)Br

InChI

InChI=1S/C20H27BrN2O5/c1-4-13(3)28-19(25)11-16-20(26)22-8-9-23(16)18(24)12-27-17-7-6-14(5-2)10-15(17)21/h6-7,10,13,16H,4-5,8-9,11-12H2,1-3H3,(H,22,26)