3-[methyl(pentan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-[methyl(pentan-2-yl)carbamoyl]benzoic acid Openeye Name: 3-[methyl(1-methylbutyl)carbamoyl]benzoic acid CAS Name: 3-[[methyl(pentan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-[methyl(pentan-2-yl)carbamoyl]benzoic acid Traditional Name: 3-[methyl(1-methylbutyl)carbamoyl]benzoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C)C(=O)C1=CC(=CC=C1)C(=O)O

Isomeric SMILES

CCCC(C)N(C)C(=O)C1=CC(=CC=C1)C(=O)O

InChI

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