(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-cyanocyclopentane-1-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 1-cyanocyclopentane-1-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 1-cyanocyclopentanecarboxylate CAS Name: 1-cyano-1-cyclopentanecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 1-cyanocyclopentane-1-carboxylate Traditional Name: 1-cyanocyclopentanecarboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3(CCCC3)C#N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3(CCCC3)C#N)C(C)C

InChI

InChI=1S/C21H23NO4/c1-13(2)16-10-17-15(9-19(23)26-18(17)8-14(16)3)11-25-20(24)21(12-22)6-4-5-7-21/h8-10,13H,4-7,11H2,1-3H3