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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(C(=O)C(=C1)C(=O)OCN2C=NC3=CC=CC=C32)(C4CCOCC4)OC

Isomeric SMILES

CCOC1=CC(C(=O)C(=C1)C(=O)OCN2C=NC3=CC=CC=C32)(C4CCOCC4)OC

InChI

InChI=1S/C23H26N2O6/c1-3-30-17-12-18(21(26)23(13-17,28-2)16-8-10-29-11-9-16)22(27)31-15-25-14-24-19-6-4-5-7-20(19)25/h4-7,12-14,16H,3,8-11,15H2,1-2H3