3-(3,3-dimethyl-1,4-dihydroisochromen-4-yl)imidazole-4-carboxylic acid

Systemtic Name: 3-(3,3-dimethyl-1,4-dihydroisochromen-4-yl)imidazole-4-carboxylic acid Openeye Name: 3-(3,3-dimethylisochroman-4-yl)imidazole-4-carboxylic acid CAS Name: 3-(3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-yl)-4-imidazolecarboxylic acid IUPAC Name: 3-(3,3-dimethyl-1,4-dihydroisochromen-4-yl)imidazole-4-carboxylic acid Traditional Name: 3-(3,3-dimethylisochroman-4-yl)imidazole-4-carboxylic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2CO1)N3C=NC=C3C(=O)O)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2CO1)N3C=NC=C3C(=O)O)C

InChI

InChI=1S/C15H16N2O3/c1-15(2)13(17-9-16-7-12(17)14(18)19)11-6-4-3-5-10(11)8-20-15/h3-7,9,13H,8H2,1-2H3,(H,18,19)