3-methylbutyl 2-[1-[2-(4-bromanylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(4-bromanylphenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(4-bromophenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(4-bromophenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(4-bromophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(4-bromophenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H25BrN2O5/c1-13(2)7-10-26-18(24)11-16-19(25)21-8-9-22(16)17(23)12-27-15-5-3-14(20)4-6-15/h3-6,13,16H,7-12H2,1-2H3,(H,21,25)