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

Systemtic Name: dimethyl 1-(1-adamantyl)-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H28ClNO4 MolecularWeight: 441.94712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClNO4/c1-30-23(28)20-13-27(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(29)31-2)22(20)18-3-5-19(26)6-4-18/h3-6,13-17,22H,7-12H2,1-2H3