(2-bromanyl-4-methyl-phenyl) 4-butoxybenzoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-butoxybenzoate Openeye Name: (2-bromo-4-methyl-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (2-bromo-4-methyl-phenyl) ester Formula: C18H19BrO3 MolecularWeight: 363.24566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C)Br

InChI

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