2-[4-(hexadecylamino)phenyl]propanoic acid

Systemtic Name: 2-[4-(hexadecylamino)phenyl]propanoic acid Openeye Name: 2-[4-(hexadecylamino)phenyl]propanoic acid CAS Name: 2-[4-(hexadecylamino)phenyl]propanoic acid IUPAC Name: 2-[4-(hexadecylamino)phenyl]propanoic acid Traditional Name: 2-[4-(cetylamino)phenyl]propionic acid Formula: C25H43NO2 MolecularWeight: 389.61442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-24-19-17-23(18-20-24)22(2)25(27)28/h17-20,22,26H,3-16,21H2,1-2H3,(H,27,28)