2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]ethanoic acid

Systemtic Name: 2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]ethanoic acid Openeye Name: 2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]acetic acid CAS Name: 2-[3-[4-(hexadecylamino)phenyl]-1-oxopropoxy]acetic acid IUPAC Name: 2-[3-[4-(hexadecylamino)phenyl]propanoyloxy]acetic acid Traditional Name: 2-[3-[4-(cetylamino)phenyl]propanoyloxy]acetic acid Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-28-25-19-16-24(17-20-25)18-21-27(31)32-23-26(29)30/h16-17,19-20,28H,2-15,18,21-23H2,1H3,(H,29,30)