3-(3-methyl-3,4-dihydro-1H-isochromen-4-yl)imidazole-4-carboxylic acid

Systemtic Name: 3-(3-methyl-3,4-dihydro-1H-isochromen-4-yl)imidazole-4-carboxylic acid Openeye Name: 3-(3-methylisochroman-4-yl)imidazole-4-carboxylic acid CAS Name: 3-(3-methyl-3,4-dihydro-1H-2-benzopyran-4-yl)-4-imidazolecarboxylic acid IUPAC Name: 3-(3-methyl-3,4-dihydro-1H-isochromen-4-yl)imidazole-4-carboxylic acid Traditional Name: 3-(3-methylisochroman-4-yl)imidazole-4-carboxylic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2CO1)N3C=NC=C3C(=O)O

Isomeric SMILES

CC1C(C2=CC=CC=C2CO1)N3C=NC=C3C(=O)O

InChI

InChI=1S/C14H14N2O3/c1-9-13(16-8-15-6-12(16)14(17)18)11-5-3-2-4-10(11)7-19-9/h2-6,8-9,13H,7H2,1H3,(H,17,18)