methyl (2R)-2-[3-oxidanylidene-5-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-4-yl]propanoate

Systemtic Name: methyl (2R)-2-[3-oxidanylidene-5-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-4-yl]propanoate Openeye Name: methyl (2R)-2-[3-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-1H-isobenzofuran-4-yl]propanoate CAS Name: (2R)-2-[3-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-1H-isobenzofuran-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-4-yl]propanoate Traditional Name: (2R)-2-[3-keto-5-[(1S)-1,3,3-trimethylcyclohexyl]phthalan-4-yl]propionic acid methyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC2=C1C(=O)OC2)C3(CCCC(C3)(C)C)C)C(=O)OC

Isomeric SMILES

C[C@H](C1=C(C=CC2=C1C(=O)OC2)[C@]3(CCCC(C3)(C)C)C)C(=O)OC

InChI

InChI=1S/C21H28O4/c1-13(18(22)24-5)16-15(8-7-14-11-25-19(23)17(14)16)21(4)10-6-9-20(2,3)12-21/h7-8,13H,6,9-12H2,1-5H3/t13-,21+/m1/s1