4-[4-[(1S,4R)-4-propylcycloheptyl]phenyl]benzoate

Systemtic Name: 4-[4-[(1S,4R)-4-propylcycloheptyl]phenyl]benzoate Openeye Name: 4-[4-[(1S,4R)-4-propylcycloheptyl]phenyl]benzoate CAS Name: 4-[4-[(1S,4R)-4-propylcycloheptyl]phenyl]benzoate IUPAC Name: 4-[4-[(1S,4R)-4-propylcycloheptyl]phenyl]benzoate Traditional Name: 4-[4-[(1S,4R)-4-propylcycloheptyl]phenyl]benzoate Formula: C23H27O2- MolecularWeight: 335.45928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCC[C@@H]1CCC[C@@H](CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C23H28O2/c1-2-4-17-5-3-6-18(8-7-17)19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(24)25/h9-18H,2-8H2,1H3,(H,24,25)/p-1/t17-,18+/m1/s1