[5-(octadecoxymethyl)oxolan-3-yl]methyl 3-azanyl-2-methyl-pyridine-4-carboxylate

Systemtic Name: [5-(octadecoxymethyl)oxolan-3-yl]methyl 3-azanyl-2-methyl-pyridine-4-carboxylate Openeye Name: [5-(octadecoxymethyl)tetrahydrofuran-3-yl]methyl 3-amino-2-methyl-pyridine-4-carboxylate CAS Name: 3-amino-2-methyl-4-pyridinecarboxylic acid [5-(octadecoxymethyl)-3-oxolanyl]methyl ester IUPAC Name: [5-(octadecoxymethyl)oxolan-3-yl]methyl 3-amino-2-methylpyridine-4-carboxylate Traditional Name: 3-amino-2-methyl-isonicotinic acid [5-(stearyloxymethyl)tetrahydrofuran-3-yl]methyl ester Formula: C31H54N2O4 MolecularWeight: 518.77146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC(=O)C2=C(C(=NC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(CO1)COC(=O)C2=C(C(=NC=C2)C)N

InChI

InChI=1S/C31H54N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-25-28-22-27(23-36-28)24-37-31(34)29-19-20-33-26(2)30(29)32/h19-20,27-28H,3-18,21-25,32H2,1-2H3