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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)Br)OC

InChI

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