ethyl 4-[4-(hexadecylamino)phenyl]butanoate

Systemtic Name: ethyl 4-[4-(hexadecylamino)phenyl]butanoate Openeye Name: ethyl 4-[4-(hexadecylamino)phenyl]butanoate CAS Name: 4-[4-(hexadecylamino)phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(hexadecylamino)phenyl]butanoate Traditional Name: 4-[4-(cetylamino)phenyl]butyric acid ethyl ester Formula: C28H49NO2 MolecularWeight: 431.69416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25-29-27-23-21-26(22-24-27)19-18-20-28(30)31-4-2/h21-24,29H,3-20,25H2,1-2H3