(phenylmethyl) 4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: benzyl 4-(2-ethyl-6-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(2-ethyl-6-methylanilino)-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-ethyl-6-methylanilino)-4-oxobutanoate Traditional Name: 4-(2-ethyl-6-methyl-anilino)-4-keto-butyric acid benzyl ester Formula: C20H23NO3 MolecularWeight: 325.40152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO3/c1-3-17-11-7-8-15(2)20(17)21-18(22)12-13-19(23)24-14-16-9-5-4-6-10-16/h4-11H,3,12-14H2,1-2H3,(H,21,22)