5-(4-dodecoxyphenyl)pyrazine-2-carboxylic acid

Systemtic Name: 5-(4-dodecoxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 5-(4-dodecoxyphenyl)pyrazine-2-carboxylic acid CAS Name: 5-(4-dodecoxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(4-dodecoxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 5-(4-lauryloxyphenyl)pyrazinoic acid Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C23H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-16-28-20-14-12-19(13-15-20)21-17-25-22(18-24-21)23(26)27/h12-15,17-18H,2-11,16H2,1H3,(H,26,27)