6-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-1H-isochromene-7-carboxylic acid

Systemtic Name: 6-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-1H-isochromene-7-carboxylic acid Openeye Name: 6-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)isochromane-7-carboxylic acid CAS Name: 6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid IUPAC Name: 6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3,4-dihydro-1H-isochromene-7-carboxylic acid Traditional Name: 6-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)isochroman-7-carboxylic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=CC3=C(COCC3)C=C2C(=O)O)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=CC3=C(COCC3)C=C2C(=O)O)C

InChI

InChI=1S/C17H20N2O4/c1-9(2)17(3)16(22)18-14(19-17)12-6-10-4-5-23-8-11(10)7-13(12)15(20)21/h6-7,9H,4-5,8H2,1-3H3,(H,20,21)(H,18,19,22)