phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-6-iodanyl-2-(1,3-oxazol-2-yl)hex-5-enoate

Systemtic Name: phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-6-iodanyl-2-(1,3-oxazol-2-yl)hex-5-enoate Openeye Name: phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-6-iodo-2-oxazol-2-yl-hex-5-enoate CAS Name: (E)-2-[(4-cyclohexylbutylamino)-oxomethyl]-6-iodo-2-(2-oxazolyl)-5-hexenoic acid phenyl ester IUPAC Name: phenyl (E)-2-(4-cyclohexylbutylcarbamoyl)-6-iodo-2-(1,3-oxazol-2-yl)hex-5-enoate Traditional Name: (E)-2-(4-cyclohexylbutylcarbamoyl)-6-iodo-2-oxazol-2-yl-hex-5-enoic acid phenyl ester Formula: C26H33IN2O4 MolecularWeight: 564.45569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCNC(=O)C(CCC=CI)(C2=NC=CO2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCCCNC(=O)C(CC/C=C/I)(C2=NC=CO2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H33IN2O4/c27-17-9-8-16-26(24-29-19-20-32-24,25(31)33-22-14-5-2-6-15-22)23(30)28-18-10-7-13-21-11-3-1-4-12-21/h2,5-6,9,14-15,17,19-21H,1,3-4,7-8,10-13,16,18H2,(H,28,30)/b17-9+