3-[3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-phenyl]propanoate Openeye Name: 3-[3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxy-phenyl]propanoate CAS Name: 3-[3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxyphenyl]propanoate IUPAC Name: 3-[3-bromo-4-[2-(diethylazaniumyl)ethoxy]-5-methoxyphenyl]propanoate Traditional Name: 3-[3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxy-phenyl]propionate Formula: C16H24BrNO4 MolecularWeight: 374.27006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1Br)CCC(=O)[O-])OC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1Br)CCC(=O)[O-])OC

InChI

InChI=1S/C16H24BrNO4/c1-4-18(5-2)8-9-22-16-13(17)10-12(6-7-15(19)20)11-14(16)21-3/h10-11H,4-9H2,1-3H3,(H,19,20)