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

Systemtic Name: 4-[2-[3-(furan-2-yl)propanoylamino]ethyl]benzoic acid Openeye Name: 4-[2-[3-(2-furyl)propanoylamino]ethyl]benzoic acid CAS Name: 4-[2-[[3-(2-furanyl)-1-oxopropyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[3-(furan-2-yl)propanoylamino]ethyl]benzoic acid Traditional Name: 4-[2-[3-(2-furyl)propanoylamino]ethyl]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CCC(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=COC(=C1)CCC(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO4/c18-15(8-7-14-2-1-11-21-14)17-10-9-12-3-5-13(6-4-12)16(19)20/h1-6,11H,7-10H2,(H,17,18)(H,19,20)