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

Systemtic Name: tert-butyl 6-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]hex-5-ynoate Openeye Name: tert-butyl 6-[4-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]phenyl]hex-5-ynoate CAS Name: 6-[4-[4-[(4-cyclohexylbutylamino)-oxomethyl]-2-oxazolyl]phenyl]-5-hexynoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[4-[4-(4-cyclohexylbutylcarbamoyl)-1,3-oxazol-2-yl]phenyl]hex-5-ynoate Traditional Name: 6-[4-[4-(4-cyclohexylbutylcarbamoyl)oxazol-2-yl]phenyl]hex-5-ynoic acid tert-butyl ester Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCC#CC1=CC=C(C=C1)C2=NC(=CO2)C(=O)NCCCCC3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CCCC#CC1=CC=C(C=C1)C2=NC(=CO2)C(=O)NCCCCC3CCCCC3

InChI

InChI=1S/C30H40N2O4/c1-30(2,3)36-27(33)16-9-5-8-14-24-17-19-25(20-18-24)29-32-26(22-35-29)28(34)31-21-11-10-15-23-12-6-4-7-13-23/h17-20,22-23H,4-7,9-13,15-16,21H2,1-3H3,(H,31,34)