3-[(3,5-dimethylphenyl)methyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(3,5-dimethylphenyl)methyl]pyrazine-2-carboxylic acid CAS Name: 3-[(3,5-dimethylphenyl)methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(3,5-dimethylphenyl)methyl]pyrazine-2-carboxylic acid Traditional Name: 3-(3,5-dimethylbenzyl)pyrazinoic acid Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2=NC=CN=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2=NC=CN=C2C(=O)O)C

InChI

InChI=1S/C14H14N2O2/c1-9-5-10(2)7-11(6-9)8-12-13(14(17)18)16-4-3-15-12/h3-7H,8H2,1-2H3,(H,17,18)