pyridin-2-ylmethyl 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: pyridin-2-ylmethyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: 2-pyridylmethyl 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid 2-pyridylmethyl ester Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=CC=CC=N5

InChI

InChI=1S/C24H27NO3/c1-27-21-7-5-19(6-8-21)23-11-17-10-18(12-23)14-24(13-17,16-23)22(26)28-15-20-4-2-3-9-25-20/h2-9,17-18H,10-16H2,1H3