dodecyl 2-[1-(5-bromanyl-2-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(5-bromanyl-2-phenethyloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(5-bromo-2-phenethyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(5-bromo-2-phenethyloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-phenethyloxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C33H45BrN2O5 MolecularWeight: 629.6248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45BrN2O5/c1-2-3-4-5-6-7-8-9-10-14-22-41-31(37)25-29-32(38)35-20-21-36(29)33(39)28-24-27(34)17-18-30(28)40-23-19-26-15-12-11-13-16-26/h11-13,15-18,24,29H,2-10,14,19-23,25H2,1H3,(H,35,38)