methyl 4-(benzimidazol-1-yl)-3-ethoxy-5-methoxy-5-(oxan-4-yl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 4-(benzimidazol-1-yl)-3-ethoxy-5-methoxy-5-(oxan-4-yl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 4-(benzimidazol-1-yl)-3-ethoxy-5-methoxy-6-oxo-5-tetrahydropyran-4-yl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 4-(1-benzimidazolyl)-3-ethoxy-5-methoxy-5-(4-oxanyl)-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzimidazol-1-yl)-3-ethoxy-5-methoxy-5-(oxan-4-yl)-6-oxocyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-(benzimidazol-1-yl)-3-ethoxy-6-keto-5-methoxy-5-tetrahydropyran-4-yl-cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(C(=O)C(=C1)C(=O)OC)(C2CCOCC2)OC)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C(C(=O)C(=C1)C(=O)OC)(C2CCOCC2)OC)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C23H26N2O6/c1-4-31-19-13-16(22(27)28-2)21(26)23(29-3,15-9-11-30-12-10-15)20(19)25-14-24-17-7-5-6-8-18(17)25/h5-8,13-15H,4,9-12H2,1-3H3