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

Systemtic Name: 3-methylbutyl 2-[1-(5-bromanyl-2-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(5-bromo-2-methoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(5-bromo-2-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(5-bromo-2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(5-bromo-2-methoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O5/c1-12(2)6-9-27-17(23)11-15-18(24)21-7-8-22(15)19(25)14-10-13(20)4-5-16(14)26-3/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,21,24)