4-(6-pyridin-2-ylhex-5-ynylamino)benzoic acid

Systemtic Name: 4-(6-pyridin-2-ylhex-5-ynylamino)benzoic acid Openeye Name: 4-[6-(2-pyridyl)hex-5-ynylamino]benzoic acid CAS Name: 4-[6-(2-pyridinyl)hex-5-ynylamino]benzoic acid IUPAC Name: 4-(6-pyridin-2-ylhex-5-ynylamino)benzoic acid Traditional Name: 4-[6-(2-pyridyl)hex-5-ynylamino]benzoic acid Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2/c21-18(22)15-9-11-17(12-10-15)20-13-5-2-1-3-7-16-8-4-6-14-19-16/h4,6,8-12,14,20H,1-2,5,13H2,(H,21,22)