(2S)-3-[4-[(3-iodanylphenyl)methoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-[(3-iodanylphenyl)methoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid Openeye Name: (2S)-2-(2-benzoylanilino)-3-[4-[(3-iodophenyl)methoxy]phenyl]propanoic acid CAS Name: (2S)-2-(2-benzoylanilino)-3-[4-[(3-iodophenyl)methoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(2-benzoylanilino)-3-[4-[(3-iodophenyl)methoxy]phenyl]propanoic acid Traditional Name: (2S)-2-(2-benzoylanilino)-3-[4-(3-iodobenzyl)oxyphenyl]propionic acid Formula: C29H24INO4 MolecularWeight: 577.40963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(CC3=CC=C(C=C3)OCC4=CC(=CC=C4)I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N[C@@H](CC3=CC=C(C=C3)OCC4=CC(=CC=C4)I)C(=O)O

InChI

InChI=1S/C29H24INO4/c30-23-10-6-7-21(17-23)19-35-24-15-13-20(14-16-24)18-27(29(33)34)31-26-12-5-4-11-25(26)28(32)22-8-2-1-3-9-22/h1-17,27,31H,18-19H2,(H,33,34)/t27-/m0/s1