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

Systemtic Name: 5-(4-heptoxyphenyl)pyrazine-2-carboxylic acid Openeye Name: 5-(4-heptoxyphenyl)pyrazine-2-carboxylic acid CAS Name: 5-(4-heptoxyphenyl)-2-pyrazinecarboxylic acid IUPAC Name: 5-(4-heptoxyphenyl)pyrazine-2-carboxylic acid Traditional Name: 5-(4-heptoxyphenyl)pyrazinoic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)O

InChI

InChI=1S/C18H22N2O3/c1-2-3-4-5-6-11-23-15-9-7-14(8-10-15)16-12-20-17(13-19-16)18(21)22/h7-10,12-13H,2-6,11H2,1H3,(H,21,22)