2-methoxyethyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-(3-bromanyl-4-prop-2-enoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-(4-allyloxy-3-bromo-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-prop-2-enoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-(3-bromo-4-prop-2-enoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-allyloxy-3-bromo-benzoyl)-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C19H23BrN2O6 MolecularWeight: 455.29972

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC=C)Br

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OCC=C)Br

InChI

InChI=1S/C19H23BrN2O6/c1-3-8-27-16-5-4-13(11-14(16)20)19(25)22-7-6-21-18(24)15(22)12-17(23)28-10-9-26-2/h3-5,11,15H,1,6-10,12H2,2H3,(H,21,24)