propyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propyl 2-[1-[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isobutoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C20H27BrN2O5 MolecularWeight: 455.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O5/c1-4-9-27-18(24)11-16-19(25)22-7-8-23(16)20(26)14-5-6-17(15(21)10-14)28-12-13(2)3/h5-6,10,13,16H,4,7-9,11-12H2,1-3H3,(H,22,25)