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

Systemtic Name: phenethyl (1R,2R,3R,4S)-2-cyclopentylbicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: phenethyl (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 phenethyl ester IUPAC Name: phenethyl (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 phenethyl ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2C3CC(C2C(=O)OCCC4=CC=CC=C4)C=C3

Isomeric SMILES

C1CCC(C1)[C@@H]2[C@@H]3C[C@H]([C@H]2C(=O)OCCC4=CC=CC=C4)C=C3

InChI

InChI=1S/C21H26O2/c22-21(23-13-12-15-6-2-1-3-7-15)20-18-11-10-17(14-18)19(20)16-8-4-5-9-16/h1-3,6-7,10-11,16-20H,4-5,8-9,12-14H2/t17-,18+,19+,20+/m0/s1