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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29NO3/c1-28-21-7-4-17(5-8-21)6-9-22-23(3-2-10-26-22)29-24(27)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-5,7-8,10,18-20H,6,9,11-16H2,1H3