3-[3-methylbutanoyl(phenyl)amino]propanoate

Systemtic Name: 3-[3-methylbutanoyl(phenyl)amino]propanoate Openeye Name: 3-[N-(3-methylbutanoyl)anilino]propanoate CAS Name: 3-(N-(3-methyl-1-oxobutyl)anilino)propanoate IUPAC Name: 3-[N-(3-methylbutanoyl)anilino]propanoate Traditional Name: 3-(N-isovalerylanilino)propionate Formula: C14H18NO3- MolecularWeight: 248.29762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC(=O)[O-])C1=CC=CC=C1

Isomeric SMILES

CC(C)CC(=O)N(CCC(=O)[O-])C1=CC=CC=C1

InChI

InChI=1S/C14H19NO3/c1-11(2)10-13(16)15(9-8-14(17)18)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)/p-1