4-[7-(5-ethylfuran-2-yl)hept-6-ynylamino]benzoic acid

Systemtic Name: 4-[7-(5-ethylfuran-2-yl)hept-6-ynylamino]benzoic acid Openeye Name: 4-[7-(5-ethyl-2-furyl)hept-6-ynylamino]benzoic acid CAS Name: 4-[7-(5-ethyl-2-furanyl)hept-6-ynylamino]benzoic acid IUPAC Name: 4-[7-(5-ethylfuran-2-yl)hept-6-ynylamino]benzoic acid Traditional Name: 4-[7-(5-ethyl-2-furyl)hept-6-ynylamino]benzoic acid Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C#CCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(O1)C#CCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H23NO3/c1-2-18-13-14-19(24-18)8-6-4-3-5-7-15-21-17-11-9-16(10-12-17)20(22)23/h9-14,21H,2-5,7,15H2,1H3,(H,22,23)