3-(2-ethylhexanoylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(2-ethylhexanoylamino)-4-methyl-benzoic acid Openeye Name: 3-(2-ethylhexanoylamino)-4-methyl-benzoic acid CAS Name: 3-[(2-ethyl-1-oxohexyl)amino]-4-methylbenzoic acid IUPAC Name: 3-(2-ethylhexanoylamino)-4-methylbenzoic acid Traditional Name: 3-(2-ethylhexanoylamino)-4-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(=C1)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-6-7-12(5-2)15(18)17-14-10-13(16(19)20)9-8-11(14)3/h8-10,12H,4-7H2,1-3H3,(H,17,18)(H,19,20)