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

Systemtic Name: butan-2-yl 2-[1-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[2-(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C19H25BrN2O5/c1-4-13(3)27-18(24)10-15-19(25)21-7-8-22(15)17(23)11-26-16-6-5-14(20)9-12(16)2/h5-6,9,13,15H,4,7-8,10-11H2,1-3H3,(H,21,25)