(5-methyl-2-propan-2-yl-phenyl) 3-bromanyl-4-propoxy-benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 3-bromanyl-4-propoxy-benzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C20H23BrO3 MolecularWeight: 391.29882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrO3/c1-5-10-23-18-9-7-15(12-17(18)21)20(22)24-19-11-14(4)6-8-16(19)13(2)3/h6-9,11-13H,5,10H2,1-4H3