3-[4-[2-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(5-bromo-2-methoxy-benzoyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-bromo-2-methoxybenzoyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(5-bromo-2-methoxy-benzoyl)amino]ethyl]phenyl]propionic acid Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C19H20BrNO4/c1-25-17-8-7-15(20)12-16(17)19(24)21-11-10-14-4-2-13(3-5-14)6-9-18(22)23/h2-5,7-8,12H,6,9-11H2,1H3,(H,21,24)(H,22,23)