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

Systemtic Name: dodecyl 2-[1-(3-bromanyl-4-butoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(3-bromo-4-butoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-butoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(3-bromo-4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-butoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C29H45BrN2O5 MolecularWeight: 581.582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45BrN2O5/c1-3-5-7-8-9-10-11-12-13-14-20-37-27(33)22-25-28(34)31-17-18-32(25)29(35)23-15-16-26(24(30)21-23)36-19-6-4-2/h15-16,21,25H,3-14,17-20,22H2,1-2H3,(H,31,34)