(5-heptadecyloxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate

Systemtic Name: (5-heptadecyloxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate Openeye Name: (5-heptadecyltetrahydrofuran-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate CAS Name: 2-(aminomethyl)-3-pyridinecarboxylic acid (5-heptadecyl-2-oxolanyl)methyl ester IUPAC Name: (5-heptadecyloxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate Traditional Name: 2-(aminomethyl)nicotinic acid (5-heptadecyltetrahydrofuran-2-yl)methyl ester Formula: C29H50N2O3 MolecularWeight: 474.7189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1CCC(O1)COC(=O)C2=C(N=CC=C2)CN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1CCC(O1)COC(=O)C2=C(N=CC=C2)CN

InChI

InChI=1S/C29H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-20-21-26(34-25)24-33-29(32)27-19-17-22-31-28(27)23-30/h17,19,22,25-26H,2-16,18,20-21,23-24,30H2,1H3