(4-phenethyloxycarbonylphenyl) 4-heptoxybenzoate

Systemtic Name: (4-phenethyloxycarbonylphenyl) 4-heptoxybenzoate Openeye Name: (4-phenethyloxycarbonylphenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [4-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (4-phenethyloxycarbonylphenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-phenethyloxycarbonylphenyl) ester Formula: C29H32O5 MolecularWeight: 460.56138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H32O5/c1-2-3-4-5-9-21-32-26-16-12-25(13-17-26)29(31)34-27-18-14-24(15-19-27)28(30)33-22-20-23-10-7-6-8-11-23/h6-8,10-19H,2-5,9,20-22H2,1H3