4-[(2-ethylhexanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-ethylhexanoylamino)methyl]benzoic acid Openeye Name: 4-[(2-ethylhexanoylamino)methyl]benzoic acid CAS Name: 4-[[(2-ethyl-1-oxohexyl)amino]methyl]benzoic acid IUPAC Name: 4-[(2-ethylhexanoylamino)methyl]benzoic acid Traditional Name: 4-[(2-ethylhexanoylamino)methyl]benzoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

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