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

Systemtic Name: propyl 2-[1-[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN2O5/c1-4-10-29-19(25)13-17-20(26)23-8-9-24(17)21(27)16-12-15(22)5-6-18(16)28-11-7-14(2)3/h5-6,12,14,17H,4,7-11,13H2,1-3H3,(H,23,26)