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

Systemtic Name: dodecyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C29H45BrN2O5 MolecularWeight: 581.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC(C)C)Br

InChI

InChI=1S/C29H45BrN2O5/c1-4-5-6-7-8-9-10-11-12-13-18-36-27(33)20-25-28(34)31-16-17-32(25)29(35)23-14-15-26(24(30)19-23)37-21-22(2)3/h14-15,19,22,25H,4-13,16-18,20-21H2,1-3H3,(H,31,34)