ethyl 1-[(4R)-7-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzimidazole-2-carboxylate

Systemtic Name: ethyl 1-[(4R)-7-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzimidazole-2-carboxylate Openeye Name: ethyl 1-[(4R)-7-cyano-2,2-dimethyl-chroman-4-yl]benzimidazole-2-carboxylate CAS Name: 1-[(4R)-7-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4R)-7-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzimidazole-2-carboxylate Traditional Name: 1-[(4R)-7-cyano-2,2-dimethyl-chroman-4-yl]benzimidazole-2-carboxylic acid ethyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N1C3CC(OC4=C3C=CC(=C4)C#N)(C)C

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N1[C@@H]3CC(OC4=C3C=CC(=C4)C#N)(C)C

InChI

InChI=1S/C22H21N3O3/c1-4-27-21(26)20-24-16-7-5-6-8-17(16)25(20)18-12-22(2,3)28-19-11-14(13-23)9-10-15(18)19/h5-11,18H,4,12H2,1-3H3/t18-/m1/s1