3-[4-(hexadecylamino)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynoic acid Openeye Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynoic acid CAS Name: 3-[4-(hexadecylamino)phenyl]-2-propynoic acid IUPAC Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynoic acid Traditional Name: 3-[4-(cetylamino)phenyl]propiolic acid Formula: C25H39NO2 MolecularWeight: 385.58266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-26-24-19-16-23(17-20-24)18-21-25(27)28/h16-17,19-20,26H,2-15,22H2,1H3,(H,27,28)