dodecyl 2-[1-(2-iodanylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(2-iodanylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-(2-iodobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2-iodophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(2-iodobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-iodobenzoyl)-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C25H37IN2O4 MolecularWeight: 556.47675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2I

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2I

InChI

InChI=1S/C25H37IN2O4/c1-2-3-4-5-6-7-8-9-10-13-18-32-23(29)19-22-24(30)27-16-17-28(22)25(31)20-14-11-12-15-21(20)26/h11-12,14-15,22H,2-10,13,16-19H2,1H3,(H,27,30)