(4-bromanyl-2-methyl-phenyl) 3-propoxybenzoate

Systemtic Name: (4-bromanyl-2-methyl-phenyl) 3-propoxybenzoate Openeye Name: (4-bromo-2-methyl-phenyl) 3-propoxybenzoate CAS Name: 3-propoxybenzoic acid (4-bromo-2-methylphenyl) ester IUPAC Name: (4-bromo-2-methylphenyl) 3-propoxybenzoate Traditional Name: 3-propoxybenzoic acid (4-bromo-2-methyl-phenyl) ester Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrO3/c1-3-9-20-15-6-4-5-13(11-15)17(19)21-16-8-7-14(18)10-12(16)2/h4-8,10-11H,3,9H2,1-2H3