[3-(3-phenylpropoxycarbonyl)phenyl] 5-bromanyl-2-propoxy-benzoate

Systemtic Name: [3-(3-phenylpropoxycarbonyl)phenyl] 5-bromanyl-2-propoxy-benzoate Openeye Name: [3-(3-phenylpropoxycarbonyl)phenyl] 5-bromo-2-propoxy-benzoate CAS Name: 5-bromo-2-propoxybenzoic acid [3-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [3-(3-phenylpropoxycarbonyl)phenyl] 5-bromo-2-propoxybenzoate Traditional Name: 5-bromo-2-propoxy-benzoic acid [3-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrO5/c1-2-15-30-24-14-13-21(27)18-23(24)26(29)32-22-12-6-11-20(17-22)25(28)31-16-7-10-19-8-4-3-5-9-19/h3-6,8-9,11-14,17-18H,2,7,10,15-16H2,1H3