[3-[4-(hexadecylamino)phenyl]carbonyloxy-2-oxidanyl-propyl] pyridine-3-carboxylate

Systemtic Name: [3-[4-(hexadecylamino)phenyl]carbonyloxy-2-oxidanyl-propyl] pyridine-3-carboxylate Openeye Name: [3-[4-(hexadecylamino)benzoyl]oxy-2-hydroxy-propyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[[4-(hexadecylamino)phenyl]-oxomethoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[4-(hexadecylamino)benzoyl]oxy-2-hydroxypropyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-[4-(cetylamino)benzoyl]oxy-2-hydroxy-propyl] ester Formula: C32H48N2O5 MolecularWeight: 540.73392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)O

InChI

InChI=1S/C32H48N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-34-29-20-18-27(19-21-29)31(36)38-25-30(35)26-39-32(37)28-17-16-22-33-24-28/h16-22,24,30,34-35H,2-15,23,25-26H2,1H3