(2S)-2-ethoxy-3-[3-iodanyl-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-ethoxy-3-[3-iodanyl-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid Openeye Name: (2S)-2-ethoxy-3-[3-iodo-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid CAS Name: (2S)-2-ethoxy-3-[3-iodo-4-[2-(10-phenoxazinyl)ethoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-ethoxy-3-[3-iodo-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid Traditional Name: (2S)-2-ethoxy-3-[3-iodo-4-(2-phenoxazin-10-ylethoxy)phenyl]propionic acid Formula: C25H24INO5 MolecularWeight: 545.36623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)I)C(=O)O

Isomeric SMILES

CCO[C@@H](CC1=CC(=C(C=C1)OCCN2C3=CC=CC=C3OC4=CC=CC=C42)I)C(=O)O

InChI

InChI=1S/C25H24INO5/c1-2-30-24(25(28)29)16-17-11-12-21(18(26)15-17)31-14-13-27-19-7-3-5-9-22(19)32-23-10-6-4-8-20(23)27/h3-12,15,24H,2,13-14,16H2,1H3,(H,28,29)/t24-/m0/s1