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

Systemtic Name: dodecyl 2-[1-(3-bromanyl-4-methyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(3-bromo-4-methyl-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(3-bromo-4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-methyl-benzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C26H39BrN2O4 MolecularWeight: 523.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39BrN2O4/c1-3-4-5-6-7-8-9-10-11-12-17-33-24(30)19-23-25(31)28-15-16-29(23)26(32)21-14-13-20(2)22(27)18-21/h13-14,18,23H,3-12,15-17,19H2,1-2H3,(H,28,31)