5-[(2-ethyl-6-methyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(2-ethyl-6-methyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-(2-ethyl-6-methyl-anilino)-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-(2-ethyl-6-methylanilino)-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-(2-ethyl-6-methylanilino)-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-(2-ethyl-6-methyl-anilino)-5-keto-3,3-dimethyl-valerate Formula: C16H22NO3- MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CC(C)(C)CC(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CC(C)(C)CC(=O)[O-])C

InChI

InChI=1S/C16H23NO3/c1-5-12-8-6-7-11(2)15(12)17-13(18)9-16(3,4)10-14(19)20/h6-8H,5,9-10H2,1-4H3,(H,17,18)(H,19,20)/p-1