pentyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H29BrN2O5/c1-4-5-6-9-28-19(26)12-17-21(27)23-7-8-24(17)18(25)13-29-20-14(2)10-16(22)11-15(20)3/h10-11,17H,4-9,12-13H2,1-3H3,(H,23,27)