[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H22N2O3/c1-11-8-20-15(9-19-11)17(22)23-10-16(21)18-5-12-2-13(6-18)4-14(3-12)7-18/h8-9,12-14H,2-7,10H2,1H3