ethyl 3-[4-(hexadecylamino)phenyl]propanoate

Systemtic Name: ethyl 3-[4-(hexadecylamino)phenyl]propanoate Openeye Name: ethyl 3-[4-(hexadecylamino)phenyl]propanoate CAS Name: 3-[4-(hexadecylamino)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(hexadecylamino)phenyl]propanoate Traditional Name: 3-[4-(cetylamino)phenyl]propionic acid ethyl ester Formula: C27H47NO2 MolecularWeight: 417.66758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC

InChI

InChI=1S/C27H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-28-26-21-18-25(19-22-26)20-23-27(29)30-4-2/h18-19,21-22,28H,3-17,20,23-24H2,1-2H3