[4-(3-phenylpropoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate

Systemtic Name: [4-(3-phenylpropoxycarbonyl)phenyl] 5-bromanyl-2-butoxy-benzoate Openeye Name: [4-(3-phenylpropoxycarbonyl)phenyl] 5-bromo-2-butoxy-benzoate CAS Name: 5-bromo-2-butoxybenzoic acid [4-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [4-(3-phenylpropoxycarbonyl)phenyl] 5-bromo-2-butoxybenzoate Traditional Name: 5-bromo-2-butoxy-benzoic acid [4-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C27H27BrO5 MolecularWeight: 511.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H27BrO5/c1-2-3-17-31-25-16-13-22(28)19-24(25)27(30)33-23-14-11-21(12-15-23)26(29)32-18-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-16,19H,2-3,7,10,17-18H2,1H3