tert-butyl 6-cyclohexyl-3-[3-[methyl-(phenylmethyl)carbamoyl]-1,2,4-oxadiazol-5-yl]hexanoate

Systemtic Name: tert-butyl 6-cyclohexyl-3-[3-[methyl-(phenylmethyl)carbamoyl]-1,2,4-oxadiazol-5-yl]hexanoate Openeye Name: tert-butyl 3-[3-[benzyl(methyl)carbamoyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoate CAS Name: 6-cyclohexyl-3-[3-[[methyl-(phenylmethyl)amino]-oxomethyl]-1,2,4-oxadiazol-5-yl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[benzyl(methyl)carbamoyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[3-[benzyl(methyl)carbamoyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-hexanoic acid tert-butyl ester Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1CCCCC1)C2=NC(=NO2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C27H39N3O4/c1-27(2,3)33-23(31)18-22(17-11-16-20-12-7-5-8-13-20)25-28-24(29-34-25)26(32)30(4)19-21-14-9-6-10-15-21/h6,9-10,14-15,20,22H,5,7-8,11-13,16-19H2,1-4H3