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

Systemtic Name: 2-methylpropyl 2-[1-(3-bromanyl-4-ethoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-(3-bromo-4-ethoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-ethoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-(3-bromo-4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-ethoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC(C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCC(C)C)Br

InChI

InChI=1S/C19H25BrN2O5/c1-4-26-16-6-5-13(9-14(16)20)19(25)22-8-7-21-18(24)15(22)10-17(23)27-11-12(2)3/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3,(H,21,24)