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

Systemtic Name: 2-[4-(hexadecylamino)phenyl]butanoic acid Openeye Name: 2-[4-(hexadecylamino)phenyl]butanoic acid CAS Name: 2-[4-(hexadecylamino)phenyl]butanoic acid IUPAC Name: 2-[4-(hexadecylamino)phenyl]butanoic acid Traditional Name: 2-[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)C(CC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-24-20-18-23(19-21-24)25(4-2)26(28)29/h18-21,25,27H,3-17,22H2,1-2H3,(H,28,29)