[2-(3,4-dimethoxyphenyl)pyridin-3-yl] adamantane-1-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)pyridin-3-yl] adamantane-1-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-3-pyridyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(3,4-dimethoxyphenyl)-3-pyridinyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)pyridin-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(3,4-dimethoxyphenyl)-3-pyridyl] ester Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=CC=N2)OC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C24H27NO4/c1-27-19-6-5-18(11-21(19)28-2)22-20(4-3-7-25-22)29-23(26)24-12-15-8-16(13-24)10-17(9-15)14-24/h3-7,11,15-17H,8-10,12-14H2,1-2H3