dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H34ClNO7 MolecularWeight: 532.02506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CCOC34CC5CC(C3)CC(C5)C4)C(=O)OC)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CCOC34CC5CC(C3)CC(C5)C4)C(=O)OC)Cl)O

InChI

InChI=1S/C28H34ClNO7/c1-34-23-10-19(9-22(29)25(23)31)24-20(26(32)35-2)14-30(15-21(24)27(33)36-3)4-5-37-28-11-16-6-17(12-28)8-18(7-16)13-28/h9-10,14-18,24,31H,4-8,11-13H2,1-3H3