phenyl 5-butylperoxycarbonyl-6-(3-phenoxypropylamino)pyridine-3-carboxylate

Systemtic Name: phenyl 5-butylperoxycarbonyl-6-(3-phenoxypropylamino)pyridine-3-carboxylate Openeye Name: phenyl 5-butylperoxycarbonyl-6-(3-phenoxypropylamino)pyridine-3-carboxylate CAS Name: 5-[butyldioxy(oxo)methyl]-6-(3-phenoxypropylamino)-3-pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 5-butylperoxycarbonyl-6-(3-phenoxypropylamino)pyridine-3-carboxylate Traditional Name: 5-butylperoxycarbonyl-6-(3-phenoxypropylamino)nicotinic acid phenyl ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOOC(=O)C1=C(N=CC(=C1)C(=O)OC2=CC=CC=C2)NCCCOC3=CC=CC=C3

Isomeric SMILES

CCCCOOC(=O)C1=C(N=CC(=C1)C(=O)OC2=CC=CC=C2)NCCCOC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O6/c1-2-3-17-32-34-26(30)23-18-20(25(29)33-22-13-8-5-9-14-22)19-28-24(23)27-15-10-16-31-21-11-6-4-7-12-21/h4-9,11-14,18-19H,2-3,10,15-17H2,1H3,(H,27,28)