dimethyl 1-(1-adamantylmethyl)-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H32ClNO6 MolecularWeight: 501.99908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClNO6/c1-33-22-8-18(7-21(28)24(22)30)23-19(25(31)34-2)12-29(13-20(23)26(32)35-3)14-27-9-15-4-16(10-27)6-17(5-15)11-27/h7-8,12-13,15-17,23,30H,4-6,9-11,14H2,1-3H3