(4-cyanophenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (4-cyanophenyl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (4-cyanobenzyl) ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H18N2O4/c1-12(2)16(20-17(21)15-4-3-9-23-15)18(22)24-11-14-7-5-13(10-19)6-8-14/h3-9,12,16H,11H2,1-2H3,(H,20,21)