3-[(4-methylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-(p-tolylmethylcarbamoyl)pyrazine-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)methylamino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(4-methylphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(4-methylbenzyl)carbamoyl]pyrazinoic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C14H13N3O3/c1-9-2-4-10(5-3-9)8-17-13(18)11-12(14(19)20)16-7-6-15-11/h2-7H,8H2,1H3,(H,17,18)(H,19,20)