(4-hexadecoxy-2-methyl-oxolan-2-yl)methyl 3-azanyl-2-methyl-pyridine-4-carboxylate

Systemtic Name: (4-hexadecoxy-2-methyl-oxolan-2-yl)methyl 3-azanyl-2-methyl-pyridine-4-carboxylate Openeye Name: (4-hexadecoxy-2-methyl-tetrahydrofuran-2-yl)methyl 3-amino-2-methyl-pyridine-4-carboxylate CAS Name: 3-amino-2-methyl-4-pyridinecarboxylic acid (4-hexadecoxy-2-methyl-2-oxolanyl)methyl ester IUPAC Name: (4-hexadecoxy-2-methyloxolan-2-yl)methyl 3-amino-2-methylpyridine-4-carboxylate Traditional Name: 3-amino-2-methyl-isonicotinic acid (4-cetyloxy-2-methyl-tetrahydrofuran-2-yl)methyl ester Formula: C29H50N2O4 MolecularWeight: 490.7183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1CC(OC1)(C)COC(=O)C2=C(C(=NC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1CC(OC1)(C)COC(=O)C2=C(C(=NC=C2)C)N

InChI

InChI=1S/C29H50N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-25-21-29(3,35-22-25)23-34-28(32)26-18-19-31-24(2)27(26)30/h18-19,25H,4-17,20-23,30H2,1-3H3