[(1R,2R,4S)-2-ethanoyl-2-(3-oxidanylidenebutyl)-4-prop-1-en-2-yl-cyclopentyl] benzoate

Systemtic Name: [(1R,2R,4S)-2-ethanoyl-2-(3-oxidanylidenebutyl)-4-prop-1-en-2-yl-cyclopentyl] benzoate Openeye Name: [(1R,2R,4S)-2-acetyl-4-isopropenyl-2-(3-oxobutyl)cyclopentyl] benzoate CAS Name: benzoic acid [(1R,2R,4S)-2-acetyl-4-(1-methylethenyl)-2-(3-oxobutyl)cyclopentyl] ester IUPAC Name: [(1R,2R,4S)-2-acetyl-2-(3-oxobutyl)-4-prop-1-en-2-ylcyclopentyl] benzoate Traditional Name: benzoic acid [(1R,2R,4S)-2-acetyl-4-isopropenyl-2-(3-ketobutyl)cyclopentyl] ester Formula: C21H26O4 MolecularWeight: 342.42874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(C(C1)(CCC(=O)C)C(=O)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=C)[C@@H]1C[C@H]([C@](C1)(CCC(=O)C)C(=O)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26O4/c1-14(2)18-12-19(25-20(24)17-8-6-5-7-9-17)21(13-18,16(4)23)11-10-15(3)22/h5-9,18-19H,1,10-13H2,2-4H3/t18-,19-,21+/m1/s1