4-[4-(hexadecylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-(hexadecylamino)phenyl]butanoic acid Openeye Name: 4-[4-(hexadecylamino)phenyl]butanoic acid CAS Name: 4-[4-(hexadecylamino)phenyl]butanoic acid IUPAC Name: 4-[4-(hexadecylamino)phenyl]butanoic acid Traditional Name: 4-[4-(cetylamino)phenyl]butyric acid Formula: C26H45NO2 MolecularWeight: 403.641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-27-25-21-19-24(20-22-25)17-16-18-26(28)29/h19-22,27H,2-18,23H2,1H3,(H,28,29)