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

Systemtic Name: pentyl 2-[1-[2-(2-bromanyl-4-butan-2-yl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-sec-butyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C23H33BrN2O5 MolecularWeight: 497.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C(C)CC)Br

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C(C)CC)Br

InChI

InChI=1S/C23H33BrN2O5/c1-4-6-7-12-30-22(28)14-19-23(29)25-10-11-26(19)21(27)15-31-20-9-8-17(13-18(20)24)16(3)5-2/h8-9,13,16,19H,4-7,10-12,14-15H2,1-3H3,(H,25,29)