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

Systemtic Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 3-azanyl-2-ethyl-pyridine-4-carboxylate Openeye Name: [4-(hexadecoxymethyl)tetrahydrofuran-2-yl]methyl 3-amino-2-ethyl-pyridine-4-carboxylate CAS Name: 3-amino-2-ethyl-4-pyridinecarboxylic acid [4-(hexadecoxymethyl)-2-oxolanyl]methyl ester IUPAC Name: [4-(hexadecoxymethyl)oxolan-2-yl]methyl 3-amino-2-ethylpyridine-4-carboxylate Traditional Name: 3-amino-2-ethyl-isonicotinic acid [4-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester Formula: C30H52N2O4 MolecularWeight: 504.74488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C(C(=NC=C2)CC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CC(OC1)COC(=O)C2=C(C(=NC=C2)CC)N

InChI

InChI=1S/C30H52N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-22-25-21-26(35-23-25)24-36-30(33)27-18-19-32-28(4-2)29(27)31/h18-19,25-26H,3-17,20-24,31H2,1-2H3