methyl 4-(3,5,5-trimethylhexanoylamino)benzoate

Systemtic Name: methyl 4-(3,5,5-trimethylhexanoylamino)benzoate Openeye Name: methyl 4-(3,5,5-trimethylhexanoylamino)benzoate CAS Name: 4-[(3,5,5-trimethyl-1-oxohexyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3,5,5-trimethylhexanoylamino)benzoate Traditional Name: 4-(3,5,5-trimethylhexanoylamino)benzoic acid methyl ester Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)C(=O)OC)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)C(=O)OC)CC(C)(C)C

InChI

InChI=1S/C17H25NO3/c1-12(11-17(2,3)4)10-15(19)18-14-8-6-13(7-9-14)16(20)21-5/h6-9,12H,10-11H2,1-5H3,(H,18,19)