(2S)-2-[[4-chloranyl-3-[4-(4-chloranylphenoxy)-2-propyl-phenyl]-1,2-benzoxazol-5-yl]oxy]propanoic acid

Systemtic Name: (2S)-2-[[4-chloranyl-3-[4-(4-chloranylphenoxy)-2-propyl-phenyl]-1,2-benzoxazol-5-yl]oxy]propanoic acid Openeye Name: (2S)-2-[[4-chloro-3-[4-(4-chlorophenoxy)-2-propyl-phenyl]-1,2-benzoxazol-5-yl]oxy]propanoic acid CAS Name: (2S)-2-[[4-chloro-3-[4-(4-chlorophenoxy)-2-propylphenyl]-1,2-benzoxazol-5-yl]oxy]propanoic acid IUPAC Name: (2S)-2-[[4-chloro-3-[4-(4-chlorophenoxy)-2-propylphenyl]-1,2-benzoxazol-5-yl]oxy]propanoic acid Traditional Name: (2S)-2-[4-chloro-3-[4-(4-chlorophenoxy)-2-propyl-phenyl]indoxazen-5-yl]oxypropionic acid Formula: C25H21Cl2NO5 MolecularWeight: 486.34394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)Cl)C3=NOC4=C3C(=C(C=C4)OC(C)C(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)Cl)C3=NOC4=C3C(=C(C=C4)O[C@@H](C)C(=O)O)Cl

InChI

InChI=1S/C25H21Cl2NO5/c1-3-4-15-13-18(32-17-7-5-16(26)6-8-17)9-10-19(15)24-22-20(33-28-24)11-12-21(23(22)27)31-14(2)25(29)30/h5-14H,3-4H2,1-2H3,(H,29,30)/t14-/m0/s1