[4-(1-adamantyl)phenyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [4-(1-adamantyl)phenyl] 5-methylpyrazine-2-carboxylate Openeye Name: [4-(1-adamantyl)phenyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [4-(1-adamantyl)phenyl] ester Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24N2O2/c1-14-12-24-20(13-23-14)21(25)26-19-4-2-18(3-5-19)22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,12-13,15-17H,6-11H2,1H3