butyl 2-[(2S)-1-(3-bromanyl-4-methyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-(3-bromanyl-4-methyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(3-bromo-4-methyl-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(3-bromo-4-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-(3-bromo-4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(3-bromo-4-methyl-benzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C18H23BrN2O4/c1-3-4-9-25-16(22)11-15-17(23)20-7-8-21(15)18(24)13-6-5-12(2)14(19)10-13/h5-6,10,15H,3-4,7-9,11H2,1-2H3,(H,20,23)/t15-/m0/s1