3-(1-adamantyloxycarbonyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-(1-adamantyloxycarbonyl)pyrazine-2-carboxylic acid Openeye Name: 3-(1-adamantyloxycarbonyl)pyrazine-2-carboxylic acid CAS Name: 3-[1-adamantyloxy(oxo)methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(1-adamantyloxycarbonyl)pyrazine-2-carboxylic acid Traditional Name: 3-(1-adamantyloxycarbonyl)pyrazinoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=NC=CN=C4C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=NC=CN=C4C(=O)O

InChI

InChI=1S/C16H18N2O4/c19-14(20)12-13(18-2-1-17-12)15(21)22-16-6-9-3-10(7-16)5-11(4-9)8-16/h1-2,9-11H,3-8H2,(H,19,20)