2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-bromanyl-benzoic acid

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-bromanyl-benzoic acid Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethoxy]-5-bromo-benzoic acid CAS Name: 2-[2-(1-azepanyl)-2-oxoethoxy]-5-bromobenzoic acid IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethoxy]-5-bromobenzoic acid Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethoxy]-5-bromo-benzoic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H18BrNO4/c16-11-5-6-13(12(9-11)15(19)20)21-10-14(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,19,20)