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

Systemtic Name: 3-[[3-methylbutan-2-yl(pyrazin-2-ylcarbonyl)amino]methyl]benzoic acid Openeye Name: 3-[[1,2-dimethylpropyl(pyrazine-2-carbonyl)amino]methyl]benzoic acid CAS Name: 3-[[3-methylbutan-2-yl-[oxo(2-pyrazinyl)methyl]amino]methyl]benzoic acid IUPAC Name: 3-[[3-methylbutan-2-yl(pyrazine-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 3-[[1,2-dimethylpropyl(pyrazinoyl)amino]methyl]benzoic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-12(2)13(3)21(17(22)16-10-19-7-8-20-16)11-14-5-4-6-15(9-14)18(23)24/h4-10,12-13H,11H2,1-3H3,(H,23,24)