[4-(3-phenylpropoxycarbonyl)phenyl] 3-(3-methylbutoxy)benzoate

Systemtic Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-(3-methylbutoxy)benzoate Openeye Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-isopentyloxybenzoate CAS Name: 3-(3-methylbutoxy)benzoic acid [4-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-(3-methylbutoxy)benzoate Traditional Name: 3-isoamoxybenzoic acid [4-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H30O5/c1-21(2)17-19-31-26-12-6-11-24(20-26)28(30)33-25-15-13-23(14-16-25)27(29)32-18-7-10-22-8-4-3-5-9-22/h3-6,8-9,11-16,20-21H,7,10,17-19H2,1-2H3