methyl 3-[[4-bromanyl-2-(diethylaminomethyl)phenoxy]methyl]benzoate

Systemtic Name: methyl 3-[[4-bromanyl-2-(diethylaminomethyl)phenoxy]methyl]benzoate Openeye Name: methyl 3-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoate CAS Name: 3-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoate Traditional Name: 3-[[4-bromo-2-(diethylaminomethyl)phenoxy]methyl]benzoic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)Br)OCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)Br)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H24BrNO3/c1-4-22(5-2)13-17-12-18(21)9-10-19(17)25-14-15-7-6-8-16(11-15)20(23)24-3/h6-12H,4-5,13-14H2,1-3H3