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

Systemtic Name: [3-(2-methylpropoxycarbonyl)phenyl] 5-bromanyl-2-propoxy-benzoate Openeye Name: (3-isobutoxycarbonylphenyl) 5-bromo-2-propoxy-benzoate CAS Name: 5-bromo-2-propoxybenzoic acid [3-[2-methylpropoxy(oxo)methyl]phenyl] ester IUPAC Name: [3-(2-methylpropoxycarbonyl)phenyl] 5-bromo-2-propoxybenzoate Traditional Name: 5-bromo-2-propoxy-benzoic acid (3-isobutoxycarbonylphenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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