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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C(C(=NC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C(C(=NC=C2)C)N

InChI

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