4-[10-(4-propylphenyl)dec-9-ynylamino]benzoic acid

Systemtic Name: 4-[10-(4-propylphenyl)dec-9-ynylamino]benzoic acid Openeye Name: 4-[10-(4-propylphenyl)dec-9-ynylamino]benzoic acid CAS Name: 4-[10-(4-propylphenyl)dec-9-ynylamino]benzoic acid IUPAC Name: 4-[10-(4-propylphenyl)dec-9-ynylamino]benzoic acid Traditional Name: 4-[10-(4-propylphenyl)dec-9-ynylamino]benzoic acid Formula: C26H33NO2 MolecularWeight: 391.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CCCCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CCCCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C26H33NO2/c1-2-11-22-13-15-23(16-14-22)12-9-7-5-3-4-6-8-10-21-27-25-19-17-24(18-20-25)26(28)29/h13-20,27H,2-8,10-11,21H2,1H3,(H,28,29)