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

Systemtic Name: pentyl 2-[1-(3-iodanyl-4-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(3-iodo-4-methoxy-benzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-iodo-4-methoxyphenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(3-iodo-4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-iodo-4-methoxy-benzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C19H25IN2O5 MolecularWeight: 488.31667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C19H25IN2O5/c1-3-4-5-10-27-17(23)12-15-18(24)21-8-9-22(15)19(25)13-6-7-16(26-2)14(20)11-13/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H,21,24)