1-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzimidazole-2-carboxylic acid

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzimidazole-2-carboxylic acid Openeye Name: 1-(6-cyano-2,2-dimethyl-chroman-4-yl)benzimidazole-2-carboxylic acid CAS Name: 1-(6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-benzimidazolecarboxylic acid IUPAC Name: 1-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzimidazole-2-carboxylic acid Traditional Name: 1-(6-cyano-2,2-dimethyl-chroman-4-yl)benzimidazole-2-carboxylic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)C#N)N3C4=CC=CC=C4N=C3C(=O)O)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=CC(=C2)C#N)N3C4=CC=CC=C4N=C3C(=O)O)C

InChI

InChI=1S/C20H17N3O3/c1-20(2)10-16(13-9-12(11-21)7-8-17(13)26-20)23-15-6-4-3-5-14(15)22-18(23)19(24)25/h3-9,16H,10H2,1-2H3,(H,24,25)