3-[4-(heptadecylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(heptadecylamino)phenyl]propanoic acid Openeye Name: 3-[4-(heptadecylamino)phenyl]propanoic acid CAS Name: 3-[4-(heptadecylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(heptadecylamino)phenyl]propanoic acid Traditional Name: 3-[4-(heptadecylamino)phenyl]propionic acid Formula: C26H45NO2 MolecularWeight: 403.641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-27-25-20-17-24(18-21-25)19-22-26(28)29/h17-18,20-21,27H,2-16,19,22-23H2,1H3,(H,28,29)