phenacyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: phenacyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: phenacyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid phenacyl ester IUPAC Name: phenacyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid phenacyl ester Formula: C18H17BrO5 MolecularWeight: 393.22858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C18H17BrO5/c1-3-23-17-14(19)9-13(10-16(17)22-2)18(21)24-11-15(20)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3