4-[2-[(2,5-dimethylfuran-3-yl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(2,5-dimethylfuran-3-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(2,5-dimethyl-3-furoyl)amino]ethyl]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-10-9-14(11(2)21-10)15(18)17-8-7-12-3-5-13(6-4-12)16(19)20/h3-6,9H,7-8H2,1-2H3,(H,17,18)(H,19,20)