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

Systemtic Name: dodecyl 2-[1-[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C28H43BrN2O6 MolecularWeight: 583.55482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H43BrN2O6/c1-3-4-5-6-7-8-9-10-11-12-17-37-26(32)21-24-27(33)30-15-16-31(24)28(34)22-13-14-25(23(29)20-22)36-19-18-35-2/h13-14,20,24H,3-12,15-19,21H2,1-2H3,(H,30,33)