4-[[3-methylbutan-2-yl(pyridin-3-ylcarbonyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[3-methylbutan-2-yl(pyridin-3-ylcarbonyl)amino]methyl]benzoic acid Openeye Name: 4-[[1,2-dimethylpropyl(pyridine-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[3-methylbutan-2-yl-[oxo(3-pyridinyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-methylbutan-2-yl(pyridine-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[1,2-dimethylpropyl(nicotinoyl)amino]methyl]benzoic acid Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N(CC1=CC=C(C=C1)C(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)C(C)N(CC1=CC=C(C=C1)C(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H22N2O3/c1-13(2)14(3)21(18(22)17-5-4-10-20-11-17)12-15-6-8-16(9-7-15)19(23)24/h4-11,13-14H,12H2,1-3H3,(H,23,24)