[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C22H27NO5/c1-14(2)19(23-20(25)18-7-6-12-27-18)21(26)28-13-17(24)15-8-10-16(11-9-15)22(3,4)5/h6-12,14,19H,13H2,1-5H3,(H,23,25)