6-[(5-pentadecyloxolan-2-yl)methoxy]hexyl 2-(aminomethyl)pyridine-3-carboxylate

Systemtic Name: 6-[(5-pentadecyloxolan-2-yl)methoxy]hexyl 2-(aminomethyl)pyridine-3-carboxylate Openeye Name: 6-[(5-pentadecyltetrahydrofuran-2-yl)methoxy]hexyl 2-(aminomethyl)pyridine-3-carboxylate CAS Name: 2-(aminomethyl)-3-pyridinecarboxylic acid 6-[(5-pentadecyl-2-oxolanyl)methoxy]hexyl ester IUPAC Name: 6-[(5-pentadecyloxolan-2-yl)methoxy]hexyl 2-(aminomethyl)pyridine-3-carboxylate Traditional Name: 2-(aminomethyl)nicotinic acid 6-[(5-pentadecyltetrahydrofuran-2-yl)methoxy]hexyl ester Formula: C33H58N2O4 MolecularWeight: 546.82462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H58N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-29-22-23-30(39-29)28-37-25-17-14-15-18-26-38-33(36)31-21-19-24-35-32(31)27-34/h19,21,24,29-30H,2-18,20,22-23,25-28,34H2,1H3