3-imidazol-1-yl-4-oxidanylidene-8-propyl-2,3-dihydrochromene-6-carboxylic acid

Systemtic Name: 3-imidazol-1-yl-4-oxidanylidene-8-propyl-2,3-dihydrochromene-6-carboxylic acid Openeye Name: 3-imidazol-1-yl-4-oxo-8-propyl-chromane-6-carboxylic acid CAS Name: 3-(1-imidazolyl)-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 3-imidazol-1-yl-4-oxo-8-propyl-2,3-dihydrochromene-6-carboxylic acid Traditional Name: 3-imidazol-1-yl-4-keto-8-propyl-chroman-6-carboxylic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)C(=O)O)C(=O)C(CO2)N3C=CN=C3

Isomeric SMILES

CCCC1=C2C(=CC(=C1)C(=O)O)C(=O)C(CO2)N3C=CN=C3

InChI

InChI=1S/C16H16N2O4/c1-2-3-10-6-11(16(20)21)7-12-14(19)13(8-22-15(10)12)18-5-4-17-9-18/h4-7,9,13H,2-3,8H2,1H3,(H,20,21)