ethyl (2S)-2-ethoxy-3-[3-iodanyl-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-ethoxy-3-[3-iodanyl-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate Openeye Name: ethyl (2S)-2-ethoxy-3-[3-iodo-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate CAS Name: (2S)-2-ethoxy-3-[3-iodo-4-[2-(10-phenoxazinyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-ethoxy-3-[3-iodo-4-(2-phenoxazin-10-ylethoxy)phenyl]propanoate Traditional Name: (2S)-2-ethoxy-3-[3-iodo-4-(2-phenoxazin-10-ylethoxy)phenyl]propionic acid ethyl ester Formula: C27H28INO5 MolecularWeight: 573.41939

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H28INO5/c1-3-31-26(27(30)32-4-2)18-19-13-14-23(20(28)17-19)33-16-15-29-21-9-5-7-11-24(21)34-25-12-8-6-10-22(25)29/h5-14,17,26H,3-4,15-16,18H2,1-2H3/t26-/m0/s1