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

Systemtic Name: (5-pentadecyloxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate Openeye Name: (5-pentadecyltetrahydrofuran-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate CAS Name: 2-(aminomethyl)-3-pyridinecarboxylic acid (5-pentadecyl-2-oxolanyl)methyl ester IUPAC Name: (5-pentadecyloxolan-2-yl)methyl 2-(aminomethyl)pyridine-3-carboxylate Traditional Name: 2-(aminomethyl)nicotinic acid (5-pentadecyltetrahydrofuran-2-yl)methyl ester Formula: C27H46N2O3 MolecularWeight: 446.66574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CCC(O1)COC(=O)C2=C(N=CC=C2)CN

Isomeric SMILES

CCCCCCCCCCCCCCCC1CCC(O1)COC(=O)C2=C(N=CC=C2)CN

InChI

InChI=1S/C27H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-18-19-24(32-23)22-31-27(30)25-17-15-20-29-26(25)21-28/h15,17,20,23-24H,2-14,16,18-19,21-22,28H2,1H3