dimethyl 1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-o-phenetyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=CN(C=C2C(=O)OC)CC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C28H35NO5/c1-4-34-24-8-6-5-7-21(24)25-22(26(30)32-2)15-29(16-23(25)27(31)33-3)17-28-12-18-9-19(13-28)11-20(10-18)14-28/h5-8,15-16,18-20,25H,4,9-14,17H2,1-3H3