3-[(4,5-dimethylfuran-2-yl)methylamino]phthalic acid

Systemtic Name: 3-[(4,5-dimethylfuran-2-yl)methylamino]phthalic acid Openeye Name: 3-[(4,5-dimethyl-2-furyl)methylamino]phthalic acid CAS Name: 3-[(4,5-dimethyl-2-furanyl)methylamino]phthalic acid IUPAC Name: 3-[(4,5-dimethylfuran-2-yl)methylamino]phthalic acid Traditional Name: 3-[(4,5-dimethyl-2-furyl)methylamino]phthalic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CNC2=CC=CC(=C2C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(OC(=C1)CNC2=CC=CC(=C2C(=O)O)C(=O)O)C

InChI

InChI=1S/C15H15NO5/c1-8-6-10(21-9(8)2)7-16-12-5-3-4-11(14(17)18)13(12)15(19)20/h3-6,16H,7H2,1-2H3,(H,17,18)(H,19,20)