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

Systemtic Name: 4-[(2-ethylbutanoylamino)methyl]benzoic acid Openeye Name: 4-[(2-ethylbutanoylamino)methyl]benzoic acid CAS Name: 4-[[(2-ethyl-1-oxobutyl)amino]methyl]benzoic acid IUPAC Name: 4-[(2-ethylbutanoylamino)methyl]benzoic acid Traditional Name: 4-[(2-ethylbutanoylamino)methyl]benzoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-3-11(4-2)13(16)15-9-10-5-7-12(8-6-10)14(17)18/h5-8,11H,3-4,9H2,1-2H3,(H,15,16)(H,17,18)