(1S,2S,3S)-2-heptyl-3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S,3S)-2-heptyl-3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3S)-2-heptyl-3-[2-(4-methoxyphenyl)-2-oxo-ethyl]cyclopropanecarboxylic acid CAS Name: (1S,2S,3S)-2-heptyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3S)-2-heptyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3S)-2-heptyl-3-[2-keto-2-(4-methoxyphenyl)ethyl]cyclopropanecarboxylic acid Formula: C20H28O4 MolecularWeight: 332.43392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C1C(=O)O)CC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCC[C@H]1[C@@H]([C@H]1C(=O)O)CC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H28O4/c1-3-4-5-6-7-8-16-17(19(16)20(22)23)13-18(21)14-9-11-15(24-2)12-10-14/h9-12,16-17,19H,3-8,13H2,1-2H3,(H,22,23)/t16-,17-,19-/m0/s1