3-[4-chloranyl-3-[(4-methoxy-2-oxidanyl-phenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-chloranyl-3-[(4-methoxy-2-oxidanyl-phenyl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-chloro-3-[(2-hydroxy-4-methoxy-benzoyl)amino]phenyl]propanoic acid CAS Name: 3-[4-chloro-3-[[(2-hydroxy-4-methoxyphenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-chloro-3-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-chloro-3-[(2-hydroxy-4-methoxy-benzoyl)amino]phenyl]propionic acid Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2=C(C=CC(=C2)CCC(=O)O)Cl)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2=C(C=CC(=C2)CCC(=O)O)Cl)O

InChI

InChI=1S/C17H16ClNO5/c1-24-11-4-5-12(15(20)9-11)17(23)19-14-8-10(2-6-13(14)18)3-7-16(21)22/h2,4-6,8-9,20H,3,7H2,1H3,(H,19,23)(H,21,22)