3-[(5-methylfuran-2-yl)methylamino]phthalic acid

Systemtic Name: 3-[(5-methylfuran-2-yl)methylamino]phthalic acid Openeye Name: 3-[(5-methyl-2-furyl)methylamino]phthalic acid CAS Name: 3-[(5-methyl-2-furanyl)methylamino]phthalic acid IUPAC Name: 3-[(5-methylfuran-2-yl)methylamino]phthalic acid Traditional Name: 3-[(5-methyl-2-furyl)methylamino]phthalic acid Formula: C14H13NO5 MolecularWeight: 275.25672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=CC=CC(=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)CNC2=CC=CC(=C2C(=O)O)C(=O)O

InChI

InChI=1S/C14H13NO5/c1-8-5-6-9(20-8)7-15-11-4-2-3-10(13(16)17)12(11)14(18)19/h2-6,15H,7H2,1H3,(H,16,17)(H,18,19)