2-(3,4-dihydro-2H-chromen-3-ylcarbonylamino)terephthalic acid

Systemtic Name: 2-(3,4-dihydro-2H-chromen-3-ylcarbonylamino)terephthalic acid Openeye Name: 2-(chromane-3-carbonylamino)terephthalic acid CAS Name: 2-[[3,4-dihydro-2H-1-benzopyran-3-yl(oxo)methyl]amino]terephthalic acid IUPAC Name: 2-(3,4-dihydro-2H-chromene-3-carbonylamino)terephthalic acid Traditional Name: 2-(chroman-3-carbonylamino)terephthalic acid Formula: C18H15NO6 MolecularWeight: 341.3148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(COC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO6/c20-16(12-7-10-3-1-2-4-15(10)25-9-12)19-14-8-11(17(21)22)5-6-13(14)18(23)24/h1-6,8,12H,7,9H2,(H,19,20)(H,21,22)(H,23,24)