4-(9-pyridin-2-ylnon-5-ynylamino)benzoic acid

Systemtic Name: 4-(9-pyridin-2-ylnon-5-ynylamino)benzoic acid Openeye Name: 4-[9-(2-pyridyl)non-5-ynylamino]benzoic acid CAS Name: 4-[9-(2-pyridinyl)non-5-ynylamino]benzoic acid IUPAC Name: 4-(9-pyridin-2-ylnon-5-ynylamino)benzoic acid Traditional Name: 4-[9-(2-pyridyl)non-5-ynylamino]benzoic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCCC#CCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCCC#CCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H24N2O2/c24-21(25)18-12-14-20(15-13-18)23-16-8-5-3-1-2-4-6-10-19-11-7-9-17-22-19/h7,9,11-15,17,23H,3-6,8,10,16H2,(H,24,25)