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

Systemtic Name: [2-[(4-methoxyphenyl)methyl]-6-methyl-pyridin-3-yl] adamantane-1-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methyl]-6-methyl-3-pyridyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[(4-methoxyphenyl)methyl]-6-methyl-3-pyridinyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methyl]-6-methylpyridin-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (6-methyl-2-p-anisyl-3-pyridyl) ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C25H29NO3/c1-16-3-8-23(22(26-16)12-17-4-6-21(28-2)7-5-17)29-24(27)25-13-18-9-19(14-25)11-20(10-18)15-25/h3-8,18-20H,9-15H2,1-2H3