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

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-(2-chlorophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(2-chlorophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-(2-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-(2-chlorophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-(2-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H30ClNO4 MolecularWeight: 455.9737

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=CC=C2Cl)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=CC=C2Cl)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30ClNO4/c1-31-24(29)20-13-28(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-21(25(30)32-2)23(20)19-5-3-4-6-22(19)27/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3