3-methylbutyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-chloro-phenoxy)acetyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H24BrClN2O5 MolecularWeight: 475.76126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrClN2O5/c1-12(2)5-8-27-18(25)10-15-19(26)22-6-7-23(15)17(24)11-28-16-4-3-13(21)9-14(16)20/h3-4,9,12,15H,5-8,10-11H2,1-2H3,(H,22,26)