ethyl (2E)-4-cyclohexyl-2-(1H-isochromen-1-ylmethylidene)-4-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-4-cyclohexyl-2-(1H-isochromen-1-ylmethylidene)-4-oxidanylidene-butanoate Openeye Name: ethyl (2E)-4-cyclohexyl-2-(1H-isochromen-1-ylmethylene)-4-oxo-butanoate CAS Name: (2E)-2-(1H-2-benzopyran-1-ylmethylidene)-4-cyclohexyl-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-4-cyclohexyl-2-(1H-isochromen-1-ylmethylidene)-4-oxobutanoate Traditional Name: (E)-2-(2-cyclohexyl-2-keto-ethyl)-3-(1H-isochromen-1-yl)acrylic acid ethyl ester Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1C2=CC=CC=C2C=CO1)CC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)/C(=C/C1C2=CC=CC=C2C=CO1)/CC(=O)C3CCCCC3

InChI

InChI=1S/C22H26O4/c1-2-25-22(24)18(14-20(23)17-9-4-3-5-10-17)15-21-19-11-7-6-8-16(19)12-13-26-21/h6-8,11-13,15,17,21H,2-5,9-10,14H2,1H3/b18-15+