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

Systemtic Name: 3-methylbutyl 2-[1-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[2-(2-bromo-4-chloro-phenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[2-(2-bromo-4-chlorophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4-chloro-phenoxy)propanoyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C20H26BrClN2O5 MolecularWeight: 489.78784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C20H26BrClN2O5/c1-12(2)6-9-28-18(25)11-16-19(26)23-7-8-24(16)20(27)13(3)29-17-5-4-14(22)10-15(17)21/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,23,26)