methyl 2-chloranyl-3-[(3R)-3-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)cyclopenten-1-yl]-2-methyl-propanoate

Systemtic Name: methyl 2-chloranyl-3-[(3R)-3-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)cyclopenten-1-yl]-2-methyl-propanoate Openeye Name: methyl 2-chloro-3-[(3R)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)cyclopenten-1-yl]-2-methyl-propanoate CAS Name: 2-chloro-3-[(3R)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-cyclopentenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-chloro-3-[(3R)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)cyclopenten-1-yl]-2-methylpropanoate Traditional Name: 2-chloro-3-[(3R)-3-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)cyclopenten-1-yl]-2-methyl-propionic acid methyl ester Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1C3CCC(=C3)CC(C)(C(=O)OC)Cl)O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1[C@@H]3CCC(=C3)CC(C)(C(=O)OC)Cl)O)C(=O)OC2)C

InChI

InChI=1S/C21H25ClO5/c1-5-14-11(2)15-10-27-19(24)17(15)18(23)16(14)13-7-6-12(8-13)9-21(3,22)20(25)26-4/h8,13,23H,5-7,9-10H2,1-4H3/t13-,21?/m1/s1