4-[8-(furan-2-yl)oct-7-ynylamino]benzoic acid

Systemtic Name: 4-[8-(furan-2-yl)oct-7-ynylamino]benzoic acid Openeye Name: 4-[8-(2-furyl)oct-7-ynylamino]benzoic acid CAS Name: 4-[8-(2-furanyl)oct-7-ynylamino]benzoic acid IUPAC Name: 4-[8-(furan-2-yl)oct-7-ynylamino]benzoic acid Traditional Name: 4-[8-(2-furyl)oct-7-ynylamino]benzoic acid Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C#CCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)C#CCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H21NO3/c21-19(22)16-10-12-17(13-11-16)20-14-6-4-2-1-3-5-8-18-9-7-15-23-18/h7,9-13,15,20H,1-4,6,14H2,(H,21,22)