2-[2-ethylhexanoyl(methyl)amino]benzoic acid

Systemtic Name: 2-[2-ethylhexanoyl(methyl)amino]benzoic acid Openeye Name: 2-[2-ethylhexanoyl(methyl)amino]benzoic acid CAS Name: 2-[(2-ethyl-1-oxohexyl)-methylamino]benzoic acid IUPAC Name: 2-[2-ethylhexanoyl(methyl)amino]benzoic acid Traditional Name: 2-[2-ethylhexanoyl(methyl)amino]benzoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(C)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)N(C)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H23NO3/c1-4-6-9-12(5-2)15(18)17(3)14-11-8-7-10-13(14)16(19)20/h7-8,10-12H,4-6,9H2,1-3H3,(H,19,20)