4-[(3-methylbutanoylamino)methyl]benzoate

Systemtic Name: 4-[(3-methylbutanoylamino)methyl]benzoate Openeye Name: 4-[(3-methylbutanoylamino)methyl]benzoate CAS Name: 4-[[(3-methyl-1-oxobutyl)amino]methyl]benzoate IUPAC Name: 4-[(3-methylbutanoylamino)methyl]benzoate Traditional Name: 4-[(isovalerylamino)methyl]benzoate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-9(2)7-12(15)14-8-10-3-5-11(6-4-10)13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)/p-1