3-[2-(hexylamino)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[2-(hexylamino)phenyl]prop-2-ynoic acid Openeye Name: 3-[2-(hexylamino)phenyl]prop-2-ynoic acid CAS Name: 3-[2-(hexylamino)phenyl]-2-propynoic acid IUPAC Name: 3-[2-(hexylamino)phenyl]prop-2-ynoic acid Traditional Name: 3-[2-(hexylamino)phenyl]propiolic acid Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=CC=C1C#CC(=O)O

Isomeric SMILES

CCCCCCNC1=CC=CC=C1C#CC(=O)O

InChI

InChI=1S/C15H19NO2/c1-2-3-4-7-12-16-14-9-6-5-8-13(14)10-11-15(17)18/h5-6,8-9,16H,2-4,7,12H2,1H3,(H,17,18)