dimethyl 1-(1-adamantyl)-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantyl)-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=CN(C=C2C(=O)OC)C34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=CN(C=C2C(=O)OC)C34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C26H31NO5/c1-30-20-6-4-5-19(10-20)23-21(24(28)31-2)14-27(15-22(23)25(29)32-3)26-11-16-7-17(12-26)9-18(8-16)13-26/h4-6,10,14-18,23H,7-9,11-13H2,1-3H3