ethyl 5-[3-[4-(hexadecylamino)phenyl]propanoyloxy]pyridine-3-carboxylate

Systemtic Name: ethyl 5-[3-[4-(hexadecylamino)phenyl]propanoyloxy]pyridine-3-carboxylate Openeye Name: ethyl 5-[3-[4-(hexadecylamino)phenyl]propanoyloxy]pyridine-3-carboxylate CAS Name: 5-[3-[4-(hexadecylamino)phenyl]-1-oxopropoxy]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-(hexadecylamino)phenyl]propanoyloxy]pyridine-3-carboxylate Traditional Name: 5-[3-[4-(cetylamino)phenyl]propanoyloxy]nicotinic acid ethyl ester Formula: C33H50N2O4 MolecularWeight: 538.7611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OC2=CN=CC(=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OC2=CN=CC(=C2)C(=O)OCC

InChI

InChI=1S/C33H50N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-35-30-21-18-28(19-22-30)20-23-32(36)39-31-25-29(26-34-27-31)33(37)38-4-2/h18-19,21-22,25-27,35H,3-17,20,23-24H2,1-2H3