3-[4-(hexadecan-2-ylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(hexadecan-2-ylamino)phenyl]propanoic acid Openeye Name: 3-[4-(1-methylpentadecylamino)phenyl]propanoic acid CAS Name: 3-[4-(hexadecan-2-ylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(hexadecan-2-ylamino)phenyl]propanoic acid Traditional Name: 3-[4-(1-methylpentadecylamino)phenyl]propionic acid Formula: C25H43NO2 MolecularWeight: 389.61442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(2)26-24-19-16-23(17-20-24)18-21-25(27)28/h16-17,19-20,22,26H,3-15,18,21H2,1-2H3,(H,27,28)