bromanyl 2-(3,4-dimethoxyphenyl)carbonyl-2-ethyl-heptanoate

Systemtic Name: bromanyl 2-(3,4-dimethoxyphenyl)carbonyl-2-ethyl-heptanoate Openeye Name: bromo 2-(3,4-dimethoxybenzoyl)-2-ethyl-heptanoate CAS Name: 2-[(3,4-dimethoxyphenyl)-oxomethyl]-2-ethylheptanoic acid bromo ester IUPAC Name: bromo 2-(3,4-dimethoxybenzoyl)-2-ethylheptanoate Traditional Name: 2-ethyl-2-veratroyl-enanthic acid bromo ester Formula: C18H25BrO5 MolecularWeight: 401.2921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(C(=O)C1=CC(=C(C=C1)OC)OC)C(=O)OBr

Isomeric SMILES

CCCCCC(CC)(C(=O)C1=CC(=C(C=C1)OC)OC)C(=O)OBr

InChI

InChI=1S/C18H25BrO5/c1-5-7-8-11-18(6-2,17(21)24-19)16(20)13-9-10-14(22-3)15(12-13)23-4/h9-10,12H,5-8,11H2,1-4H3