methyl (1R,5S)-5-(4-hydroxyphenyl)-2-oxidanylidene-3-propyl-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,5S)-5-(4-hydroxyphenyl)-2-oxidanylidene-3-propyl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,5S)-5-(4-hydroxyphenyl)-2-oxo-3-propyl-cyclopentanecarboxylate CAS Name: (1R,5S)-5-(4-hydroxyphenyl)-2-oxo-3-propyl-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-5-(4-hydroxyphenyl)-2-oxo-3-propylcyclopentane-1-carboxylate Traditional Name: (1R,5S)-5-(4-hydroxyphenyl)-2-keto-3-propyl-cyclopentanecarboxylic acid methyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(C(C1=O)C(=O)OC)C2=CC=C(C=C2)O

Isomeric SMILES

CCCC1C[C@@H]([C@H](C1=O)C(=O)OC)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H20O4/c1-3-4-11-9-13(10-5-7-12(17)8-6-10)14(15(11)18)16(19)20-2/h5-8,11,13-14,17H,3-4,9H2,1-2H3/t11?,13-,14-/m1/s1