(2-methoxy-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl) 3H-benzimidazole-5-carboxylate

Systemtic Name: (2-methoxy-4,7,7-trimethyl-5-oxidanylidene-cyclohept-3-en-1-yl) 3H-benzimidazole-5-carboxylate Openeye Name: (2-methoxy-4,7,7-trimethyl-5-oxo-cyclohept-3-en-1-yl) 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid (2-methoxy-4,7,7-trimethyl-5-oxo-1-cyclohept-3-enyl) ester IUPAC Name: (2-methoxy-4,7,7-trimethyl-5-oxocyclohept-3-en-1-yl) 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid (5-keto-2-methoxy-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=CC3=C(C=C2)N=CN3)OC

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)OC(=O)C2=CC3=C(C=C2)N=CN3)OC

InChI

InChI=1S/C19H22N2O4/c1-11-7-16(24-4)17(19(2,3)9-15(11)22)25-18(23)12-5-6-13-14(8-12)21-10-20-13/h5-8,10,16-17H,9H2,1-4H3,(H,20,21)