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

Systemtic Name: [4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 3-azanyl-2-methyl-pyridine-4-carboxylate Openeye Name: [4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl 3-amino-2-methyl-pyridine-4-carboxylate CAS Name: 3-amino-2-methyl-4-pyridinecarboxylic acid [4-[[(heptadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methyl ester IUPAC Name: [4-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 3-amino-2-methylpyridine-4-carboxylate Traditional Name: 3-amino-2-methyl-isonicotinic acid [4-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C31H53N3O5 MolecularWeight: 547.76962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC(=O)C2=C(C(=NC=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC1CC(OC1)COC(=O)C2=C(C(=NC=C2)C)N

InChI

InChI=1S/C31H53N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-31(36)39-23-26-21-27(37-22-26)24-38-30(35)28-18-20-33-25(2)29(28)32/h18,20,26-27H,3-17,19,21-24,32H2,1-2H3,(H,34,36)