[2-[2-(4-methoxyphenyl)ethyl]-6-methyl-pyridin-3-yl] adamantane-1-carboxylate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethyl]-6-methyl-pyridin-3-yl] adamantane-1-carboxylate Openeye Name: [2-[2-(4-methoxyphenyl)ethyl]-6-methyl-3-pyridyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[2-(4-methoxyphenyl)ethyl]-6-methyl-3-pyridinyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[2-(4-methoxyphenyl)ethyl]-6-methyl-3-pyridyl] ester Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H31NO3/c1-17-3-10-24(23(27-17)9-6-18-4-7-22(29-2)8-5-18)30-25(28)26-14-19-11-20(15-26)13-21(12-19)16-26/h3-5,7-8,10,19-21H,6,9,11-16H2,1-2H3