(2S)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]-3-iodanyl-phenyl]-2-ethoxy-propanoic acid

Systemtic Name: (2S)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]-3-iodanyl-phenyl]-2-ethoxy-propanoic acid Openeye Name: (2S)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]-3-iodo-phenyl]-2-ethoxy-propanoic acid CAS Name: (2S)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]-3-iodophenyl]-2-ethoxypropanoic acid IUPAC Name: (2S)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]-3-iodophenyl]-2-ethoxypropanoic acid Traditional Name: (2S)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]-3-iodo-phenyl]-2-ethoxy-propionic acid Formula: C21H23IN2O5 MolecularWeight: 510.32219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=C(C=C1)OCCN(C)C2=NC3=CC=CC=C3O2)I)C(=O)O

Isomeric SMILES

CCO[C@@H](CC1=CC(=C(C=C1)OCCN(C)C2=NC3=CC=CC=C3O2)I)C(=O)O

InChI

InChI=1S/C21H23IN2O5/c1-3-27-19(20(25)26)13-14-8-9-17(15(22)12-14)28-11-10-24(2)21-23-16-6-4-5-7-18(16)29-21/h4-9,12,19H,3,10-11,13H2,1-2H3,(H,25,26)/t19-/m0/s1