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

Systemtic Name: dodecyl 2-[1-(5-bromanyl-2-propoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(5-bromo-2-propoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-propoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(5-bromo-2-propoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-propoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C28H43BrN2O5 MolecularWeight: 567.55542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43BrN2O5/c1-3-5-6-7-8-9-10-11-12-13-19-36-26(32)21-24-27(33)30-16-17-31(24)28(34)23-20-22(29)14-15-25(23)35-18-4-2/h14-15,20,24H,3-13,16-19,21H2,1-2H3,(H,30,33)