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

Systemtic Name: dodecyl 2-[1-(5-bromanyl-2-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(5-bromo-2-ethoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(5-bromo-2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-ethoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C27H41BrN2O5 MolecularWeight: 553.52884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41BrN2O5/c1-3-5-6-7-8-9-10-11-12-13-18-35-25(31)20-23-26(32)29-16-17-30(23)27(33)22-19-21(28)14-15-24(22)34-4-2/h14-15,19,23H,3-13,16-18,20H2,1-2H3,(H,29,32)