decyl 2-[1-(3-bromanyl-4-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-(3-bromanyl-4-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-(3-bromo-4-phenethyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(3-bromo-4-phenethyloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-phenethyloxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C31H41BrN2O5 MolecularWeight: 601.57164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C31H41BrN2O5/c1-2-3-4-5-6-7-8-12-20-39-29(35)23-27-30(36)33-18-19-34(27)31(37)25-15-16-28(26(32)22-25)38-21-17-24-13-10-9-11-14-24/h9-11,13-16,22,27H,2-8,12,17-21,23H2,1H3,(H,33,36)