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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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