3-(2-pyrazin-2-ylcarbonyloxybutanoylamino)benzoic acid

Systemtic Name: 3-(2-pyrazin-2-ylcarbonyloxybutanoylamino)benzoic acid Openeye Name: 3-[2-(pyrazine-2-carbonyloxy)butanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[oxo(2-pyrazinyl)methoxy]butyl]amino]benzoic acid IUPAC Name: 3-[2-(pyrazine-2-carbonyloxy)butanoylamino]benzoic acid Traditional Name: 3-(2-pyrazinoyloxybutanoylamino)benzoic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=NC=CN=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=NC=CN=C2

InChI

InChI=1S/C16H15N3O5/c1-2-13(24-16(23)12-9-17-6-7-18-12)14(20)19-11-5-3-4-10(8-11)15(21)22/h3-9,13H,2H2,1H3,(H,19,20)(H,21,22)