6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid

Systemtic Name: 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid Openeye Name: 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid CAS Name: 6-(3-hexoxy-2-pyrazinyl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid IUPAC Name: 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid Traditional Name: 6-(3-hexoxypyrazin-2-yl)-2,3,4,7-tetrahydroazepine-1-carboxylic acid Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=CN=C1C2=CCCCN(C2)C(=O)O

Isomeric SMILES

CCCCCCOC1=NC=CN=C1C2=CCCCN(C2)C(=O)O

InChI

InChI=1S/C17H25N3O3/c1-2-3-4-7-12-23-16-15(18-9-10-19-16)14-8-5-6-11-20(13-14)17(21)22/h8-10H,2-7,11-13H2,1H3,(H,21,22)