3-methylbutyl 2-[1-(3-bromanyl-4-propan-2-yloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(3-bromanyl-4-propan-2-yloxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-bromo-4-isopropoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-bromo-4-propan-2-yloxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-bromo-4-propan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-bromo-4-isopropoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C21H29BrN2O5 MolecularWeight: 469.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OC(C)C)Br

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OC(C)C)Br

InChI

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