(3-octadecyloxolan-3-yl)methyl 3-azanyl-2-methyl-pyridine-4-carboxylate

Systemtic Name: (3-octadecyloxolan-3-yl)methyl 3-azanyl-2-methyl-pyridine-4-carboxylate Openeye Name: (3-octadecyltetrahydrofuran-3-yl)methyl 3-amino-2-methyl-pyridine-4-carboxylate CAS Name: 3-amino-2-methyl-4-pyridinecarboxylic acid (3-octadecyl-3-oxolanyl)methyl ester IUPAC Name: (3-octadecyloxolan-3-yl)methyl 3-amino-2-methylpyridine-4-carboxylate Traditional Name: 3-amino-2-methyl-isonicotinic acid (3-stearyltetrahydrofuran-3-yl)methyl ester Formula: C30H52N2O3 MolecularWeight: 488.74548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1(CCOC1)COC(=O)C2=C(C(=NC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1(CCOC1)COC(=O)C2=C(C(=NC=C2)C)N

InChI

InChI=1S/C30H52N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(21-23-34-24-30)25-35-29(33)27-19-22-32-26(2)28(27)31/h19,22H,3-18,20-21,23-25,31H2,1-2H3