ethyl 6-[7,7-dimethyl-6-oxidanyl-5-(1,2,4-triazol-1-yl)octoxy]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[7,7-dimethyl-6-oxidanyl-5-(1,2,4-triazol-1-yl)octoxy]pyridine-3-carboxylate Openeye Name: ethyl 6-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]pyridine-3-carboxylate CAS Name: 6-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]pyridine-3-carboxylate Traditional Name: 6-[6-hydroxy-7,7-dimethyl-5-(1,2,4-triazol-1-yl)octoxy]nicotinic acid ethyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)OCCCCC(C(C(C)(C)C)O)N2C=NC=N2

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)OCCCCC(C(C(C)(C)C)O)N2C=NC=N2

InChI

InChI=1S/C20H30N4O4/c1-5-27-19(26)15-9-10-17(22-12-15)28-11-7-6-8-16(18(25)20(2,3)4)24-14-21-13-23-24/h9-10,12-14,16,18,25H,5-8,11H2,1-4H3