dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=CN(C=C2C(=O)OC)CCC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=CN(C=C2C(=O)OC)CCC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C28H35NO5/c1-32-22-6-4-5-21(12-22)25-23(26(30)33-2)16-29(17-24(25)27(31)34-3)8-7-28-13-18-9-19(14-28)11-20(10-18)15-28/h4-6,12,16-20,25H,7-11,13-15H2,1-3H3