5-[4-(9-methyldecoxy)phenyl]pyrazine-2-carboxylic acid

Systemtic Name: 5-[4-(9-methyldecoxy)phenyl]pyrazine-2-carboxylic acid Openeye Name: 5-[4-(9-methyldecoxy)phenyl]pyrazine-2-carboxylic acid CAS Name: 5-[4-(9-methyldecoxy)phenyl]-2-pyrazinecarboxylic acid IUPAC Name: 5-[4-(9-methyldecoxy)phenyl]pyrazine-2-carboxylic acid Traditional Name: 5-[4-(9-methyldecoxy)phenyl]pyrazinoic acid Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C22H30N2O3/c1-17(2)9-7-5-3-4-6-8-14-27-19-12-10-18(11-13-19)20-15-24-21(16-23-20)22(25)26/h10-13,15-17H,3-9,14H2,1-2H3,(H,25,26)