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

Systemtic Name: dodecyl 2-[1-[2-(4-bromanyl-2-methyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[2-(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromo-2-methyl-phenoxy)acetyl]-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)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C27H41BrN2O5/c1-3-4-5-6-7-8-9-10-11-12-17-34-26(32)19-23-27(33)29-15-16-30(23)25(31)20-35-24-14-13-22(28)18-21(24)2/h13-14,18,23H,3-12,15-17,19-20H2,1-2H3,(H,29,33)