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

Systemtic Name: pentyl 2-[1-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[2-(2-bromo-4-phenylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-phenyl-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C25H29BrN2O5 MolecularWeight: 517.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C25H29BrN2O5/c1-2-3-7-14-32-24(30)16-21-25(31)27-12-13-28(21)23(29)17-33-22-11-10-19(15-20(22)26)18-8-5-4-6-9-18/h4-6,8-11,15,21H,2-3,7,12-14,16-17H2,1H3,(H,27,31)