4-[[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(phenylmethyl)-pyrazin-2-ylcarbonyl-amino]methyl]benzoic acid Openeye Name: 4-[[benzyl(pyrazine-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo(2-pyrazinyl)methyl]-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[benzyl(pyrazine-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[benzyl(pyrazinoyl)amino]methyl]benzoic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C20H17N3O3/c24-19(18-12-21-10-11-22-18)23(13-15-4-2-1-3-5-15)14-16-6-8-17(9-7-16)20(25)26/h1-12H,13-14H2,(H,25,26)