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

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-(3,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(3,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-(3,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-(3,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-(3,4-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H35NO6 MolecularWeight: 481.5806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC34CC5CC(C3)CC(C5)C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=CN(C=C2C(=O)OC)CC34CC5CC(C3)CC(C5)C4)C(=O)OC)OC

InChI

InChI=1S/C28H35NO6/c1-32-23-6-5-20(10-24(23)33-2)25-21(26(30)34-3)14-29(15-22(25)27(31)35-4)16-28-11-17-7-18(12-28)9-19(8-17)13-28/h5-6,10,14-15,17-19,25H,7-9,11-13,16H2,1-4H3