(4-bromanyl-2,6-dimethyl-phenyl) 3-propoxybenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-propoxybenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-propoxybenzoate CAS Name: 3-propoxybenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-propoxybenzoate Traditional Name: 3-propoxybenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C18H19BrO3 MolecularWeight: 363.24566

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

InChI

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