3-[(2,5-dimethylfuran-3-yl)carbonyl-[(4-fluorophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(2,5-dimethylfuran-3-yl)carbonyl-[(4-fluorophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(2,5-dimethylfuran-3-carbonyl)-[(4-fluorophenyl)methyl]amino]propanoic acid CAS Name: 3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]-[(4-fluorophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(2,5-dimethylfuran-3-carbonyl)-[(4-fluorophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(2,5-dimethyl-3-furoyl)-(4-fluorobenzyl)amino]propionic acid Formula: C17H18FNO4 MolecularWeight: 319.327523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N(CCC(=O)O)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N(CCC(=O)O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FNO4/c1-11-9-15(12(2)23-11)17(22)19(8-7-16(20)21)10-13-3-5-14(18)6-4-13/h3-6,9H,7-8,10H2,1-2H3,(H,20,21)