4-[[3-(furan-2-yl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-(furan-2-yl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(2-furyl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-(2-furanyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(furan-2-yl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(2-furyl)propanoylamino]methyl]benzoic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15NO4/c17-14(8-7-13-2-1-9-20-13)16-10-11-3-5-12(6-4-11)15(18)19/h1-6,9H,7-8,10H2,(H,16,17)(H,18,19)