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

Systemtic Name: (4-bromanyl-2-methyl-phenyl) 3-butoxybenzoate Openeye Name: (4-bromo-2-methyl-phenyl) 3-butoxybenzoate CAS Name: 3-butoxybenzoic acid (4-bromo-2-methylphenyl) ester IUPAC Name: (4-bromo-2-methylphenyl) 3-butoxybenzoate Traditional Name: 3-butoxybenzoic acid (4-bromo-2-methyl-phenyl) ester Formula: C18H19BrO3 MolecularWeight: 363.24566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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