3-phenylpropyl 4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]oxybenzoic acid 3-phenylpropyl ester Formula: C26H25ClO5 MolecularWeight: 452.9267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H25ClO5/c1-18-15-23(16-19(2)25(18)27)31-17-24(28)32-22-12-10-21(11-13-22)26(29)30-14-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3