tert-butyl (Z)-6-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]-6-iodanyl-hex-5-enoate

Systemtic Name: tert-butyl (Z)-6-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]-6-iodanyl-hex-5-enoate Openeye Name: tert-butyl (Z)-6-[4-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]phenyl]-6-iodo-hex-5-enoate CAS Name: (Z)-6-[4-[4-[(4-cyclohexylbutylamino)-oxomethyl]-2-oxazolyl]phenyl]-6-iodo-5-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-6-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]-6-iodohex-5-enoate Traditional Name: (Z)-6-[4-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]phenyl]-6-iodo-hex-5-enoic acid tert-butyl ester Formula: C30H41IN2O4 MolecularWeight: 620.56201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCC=C(C1=CC=C(C=C1)C2=NC(=CO2)C(=O)NCCCCC3CCCCC3)I

Isomeric SMILES

CC(C)(C)OC(=O)CCC/C=C(/C1=CC=C(C=C1)C2=NC(=CO2)C(=O)NCCCCC3CCCCC3)\I

InChI

InChI=1S/C30H41IN2O4/c1-30(2,3)37-27(34)15-8-7-14-25(31)23-16-18-24(19-17-23)29-33-26(21-36-29)28(35)32-20-10-9-13-22-11-5-4-6-12-22/h14,16-19,21-22H,4-13,15,20H2,1-3H3,(H,32,35)/b25-14-