(4-cyanophenyl) 4-[(1S,3R)-3-propylcyclopentyl]benzoate

Systemtic Name: (4-cyanophenyl) 4-[(1S,3R)-3-propylcyclopentyl]benzoate Openeye Name: (4-cyanophenyl) 4-[(1S,3R)-3-propylcyclopentyl]benzoate CAS Name: 4-[(1S,3R)-3-propylcyclopentyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(1S,3R)-3-propylcyclopentyl]benzoate Traditional Name: 4-[(1S,3R)-3-propylcyclopentyl]benzoic acid (4-cyanophenyl) ester Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC[C@@H]1CC[C@@H](C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23NO2/c1-2-3-16-4-7-20(14-16)18-8-10-19(11-9-18)22(24)25-21-12-5-17(15-23)6-13-21/h5-6,8-13,16,20H,2-4,7,14H2,1H3/t16-,20+/m1/s1