2-(2-ethylhexanoylamino)-3-methyl-benzoic acid

Systemtic Name: 2-(2-ethylhexanoylamino)-3-methyl-benzoic acid Openeye Name: 2-(2-ethylhexanoylamino)-3-methyl-benzoic acid CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-3-methylbenzoic acid IUPAC Name: 2-(2-ethylhexanoylamino)-3-methylbenzoic acid Traditional Name: 2-(2-ethylhexanoylamino)-3-methyl-benzoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C=CC=C1C)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C=CC=C1C)C(=O)O

InChI

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