(2-methylphenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (2-methylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: o-tolyl 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid o-tolyl ester Formula: C18H19BrO3 MolecularWeight: 363.24566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2C)Br

InChI

InChI=1S/C18H19BrO3/c1-3-4-11-21-17-10-9-14(12-15(17)19)18(20)22-16-8-6-5-7-13(16)2/h5-10,12H,3-4,11H2,1-2H3