ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxo-cyclopentanecarboxylate CAS Name: 1-(3-hexyl-6,7-dimethoxy-1H-2-benzopyran-1-yl)-2-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxocyclopentane-1-carboxylate Traditional Name: 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-keto-cyclopentanecarboxylic acid ethyl ester Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C(C=C2C(O1)C3(CCCC3=O)C(=O)OCC)OC)OC

Isomeric SMILES

CCCCCCC1=CC2=CC(=C(C=C2C(O1)C3(CCCC3=O)C(=O)OCC)OC)OC

InChI

InChI=1S/C25H34O6/c1-5-7-8-9-11-18-14-17-15-20(28-3)21(29-4)16-19(17)23(31-18)25(24(27)30-6-2)13-10-12-22(25)26/h14-16,23H,5-13H2,1-4H3