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

Systemtic Name: butan-2-yl 2-[1-(3-iodanyl-4-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C18H23IN2O5 MolecularWeight: 474.29009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23IN2O5/c1-4-11(2)26-16(22)10-14-17(23)20-7-8-21(14)18(24)12-5-6-15(25-3)13(19)9-12/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,20,23)