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

Systemtic Name: dodecyl 2-[1-(3-iodanyl-4-methoxy-phenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C26H39IN2O5 MolecularWeight: 586.50273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39IN2O5/c1-3-4-5-6-7-8-9-10-11-12-17-34-24(30)19-22-25(31)28-15-16-29(22)26(32)20-13-14-23(33-2)21(27)18-20/h13-14,18,22H,3-12,15-17,19H2,1-2H3,(H,28,31)