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

Systemtic Name: dimethyl 1-(1-adamantyl)-4-(3,4-dichlorophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(3,4-dichlorophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-(3,4-dichlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-(3,4-dichlorophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(3,4-dichlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H27Cl2NO4 MolecularWeight: 476.39218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)Cl)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)Cl)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H27Cl2NO4/c1-31-23(29)18-12-28(25-9-14-5-15(10-25)7-16(6-14)11-25)13-19(24(30)32-2)22(18)17-3-4-20(26)21(27)8-17/h3-4,8,12-16,22H,5-7,9-11H2,1-2H3