3-methylbutyl 2-[1-(3-iodanyl-4-methyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-(3-iodanyl-4-methyl-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-(3-iodo-4-methyl-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-iodo-4-methylphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-(3-iodo-4-methylbenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-iodo-4-methyl-benzoyl)-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H25IN2O4 MolecularWeight: 472.31727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C)I

InChI

InChI=1S/C19H25IN2O4/c1-12(2)6-9-26-17(23)11-16-18(24)21-7-8-22(16)19(25)14-5-4-13(3)15(20)10-14/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,21,24)