ethyl 5-[4-(2-methyloctan-2-yl)-2,6-bis(oxidanyl)phenyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-[4-(2-methyloctan-2-yl)-2,6-bis(oxidanyl)phenyl]pyridine-3-carboxylate Openeye Name: ethyl 5-[4-(1,1-dimethylheptyl)-2,6-dihydroxy-phenyl]pyridine-3-carboxylate CAS Name: 5-[2,6-dihydroxy-4-(2-methyloctan-2-yl)phenyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2,6-dihydroxy-4-(2-methyloctan-2-yl)phenyl]pyridine-3-carboxylate Traditional Name: 5-[4-(1,1-dimethylheptyl)-2,6-dihydroxy-phenyl]nicotinic acid ethyl ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C(=C1)O)C2=CC(=CN=C2)C(=O)OCC)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C(=C1)O)C2=CC(=CN=C2)C(=O)OCC)O

InChI

InChI=1S/C23H31NO4/c1-5-7-8-9-10-23(3,4)18-12-19(25)21(20(26)13-18)16-11-17(15-24-14-16)22(27)28-6-2/h11-15,25-26H,5-10H2,1-4H3