butyl 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-(5-bromo-2-isopentyloxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[5-bromo-2-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-isoamoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C22H31BrN2O5 MolecularWeight: 483.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN2O5/c1-4-5-11-30-20(26)14-18-21(27)24-9-10-25(18)22(28)17-13-16(23)6-7-19(17)29-12-8-15(2)3/h6-7,13,15,18H,4-5,8-12,14H2,1-3H3,(H,24,27)