4-[[(2,4,5-trimethylfuran-3-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2,4,5-trimethylfuran-3-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-(2,4,5-trimethyl-3-furanyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2,4,5-trimethyl-3-furoyl)amino]methyl]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)C)C

InChI

InChI=1S/C16H17NO4/c1-9-10(2)21-11(3)14(9)15(18)17-8-12-4-6-13(7-5-12)16(19)20/h4-7H,8H2,1-3H3,(H,17,18)(H,19,20)