[4-(2-methylbutoxycarbonyl)phenyl] 2-octan-4-yloxybenzoate

Systemtic Name: [4-(2-methylbutoxycarbonyl)phenyl] 2-octan-4-yloxybenzoate Openeye Name: [4-(2-methylbutoxycarbonyl)phenyl] 2-(1-propylpentoxy)benzoate CAS Name: 2-octan-4-yloxybenzoic acid [4-[2-methylbutoxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(2-methylbutoxycarbonyl)phenyl] 2-octan-4-yloxybenzoate Traditional Name: 2-(1-propylpentoxy)benzoic acid [4-(2-methylbutoxycarbonyl)phenyl] ester Formula: C27H36O5 MolecularWeight: 440.57174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)OCC(C)CC

Isomeric SMILES

CCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)OCC(C)CC

InChI

InChI=1S/C27H36O5/c1-5-8-12-22(11-6-2)31-25-14-10-9-13-24(25)27(29)32-23-17-15-21(16-18-23)26(28)30-19-20(4)7-3/h9-10,13-18,20,22H,5-8,11-12,19H2,1-4H3