O4-[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 4-O-[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C18H22N2O5/c1-11(2)18(4,10-19)20-15(21)12(3)25-17(23)14-8-6-13(7-9-14)16(22)24-5/h6-9,11-12H,1-5H3,(H,20,21)