5-bromanyl-3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzoic acid

Systemtic Name: 5-bromanyl-3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzoic acid Openeye Name: 5-bromo-3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzoic acid CAS Name: 5-bromo-3-methoxy-2-[2-(1-pyrrolidinyl)ethoxy]benzoic acid IUPAC Name: 5-bromo-3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzoic acid Traditional Name: 5-bromo-3-methoxy-2-(2-pyrrolidinoethoxy)benzoic acid Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C(=O)O)OCCN2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C(=O)O)OCCN2CCCC2

InChI

InChI=1S/C14H18BrNO4/c1-19-12-9-10(15)8-11(14(17)18)13(12)20-7-6-16-4-2-3-5-16/h8-9H,2-7H2,1H3,(H,17,18)