[4-(2-methylpropoxycarbonyl)phenyl] 3-bromanyl-4-propoxy-benzoate

Systemtic Name: [4-(2-methylpropoxycarbonyl)phenyl] 3-bromanyl-4-propoxy-benzoate Openeye Name: (4-isobutoxycarbonylphenyl) 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid [4-[2-methylpropoxy(oxo)methyl]phenyl] ester IUPAC Name: [4-(2-methylpropoxycarbonyl)phenyl] 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid (4-isobutoxycarbonylphenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCC(C)C)Br

InChI

InChI=1S/C21H23BrO5/c1-4-11-25-19-10-7-16(12-18(19)22)21(24)27-17-8-5-15(6-9-17)20(23)26-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3