3-phenylpropyl (1R,2R,3R,4S)-2-cyclopentylbicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: 3-phenylpropyl (1R,2R,3R,4S)-2-cyclopentylbicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: 3-phenylpropyl (1R,2R,3R,4S)-2-cyclopentylbicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: (1R,2R,3R,4S)-2-cyclopentyl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (1R,2R,3R,4S)-2-cyclopentylbicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: (1R,2R,3R,4S)-2-cyclopentylbicyclo[2.2.1]hept-5-ene-3-carboxylic acid 3-phenylpropyl ester Formula: C22H28O2 MolecularWeight: 324.45652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2C3CC(C2C(=O)OCCCC4=CC=CC=C4)C=C3

Isomeric SMILES

C1CCC(C1)[C@@H]2[C@@H]3C[C@H]([C@H]2C(=O)OCCCC4=CC=CC=C4)C=C3

InChI

InChI=1S/C22H28O2/c23-22(24-14-6-9-16-7-2-1-3-8-16)21-19-13-12-18(15-19)20(21)17-10-4-5-11-17/h1-3,7-8,12-13,17-21H,4-6,9-11,14-15H2/t18-,19+,20+,21+/m0/s1