(5-octadecoxycarbonyloxolan-3-yl)methyl 3-azanyl-2-methyl-pyridine-4-carboxylate

Systemtic Name: (5-octadecoxycarbonyloxolan-3-yl)methyl 3-azanyl-2-methyl-pyridine-4-carboxylate Openeye Name: (5-octadecoxycarbonyltetrahydrofuran-3-yl)methyl 3-amino-2-methyl-pyridine-4-carboxylate CAS Name: 3-amino-2-methyl-4-pyridinecarboxylic acid [5-[octadecoxy(oxo)methyl]-3-oxolanyl]methyl ester IUPAC Name: (5-octadecoxycarbonyloxolan-3-yl)methyl 3-amino-2-methylpyridine-4-carboxylate Traditional Name: 3-amino-2-methyl-isonicotinic acid (5-stearyloxycarbonyltetrahydrofuran-3-yl)methyl ester Formula: C31H52N2O5 MolecularWeight: 532.75498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1CC(CO1)COC(=O)C2=C(C(=NC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CC(CO1)COC(=O)C2=C(C(=NC=C2)C)N

InChI

InChI=1S/C31H52N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-36-31(35)28-22-26(23-37-28)24-38-30(34)27-19-20-33-25(2)29(27)32/h19-20,26,28H,3-18,21-24,32H2,1-2H3