2-[(5-chloranyl-3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[(5-chloranyl-3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]-2-phenyl-ethanoic acid Openeye Name: 2-[(5-chloro-3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]-2-phenyl-acetic acid CAS Name: 2-[(5-chloro-3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]-2-phenylacetic acid IUPAC Name: 2-[(5-chloro-3-ethyl-7-propyl-1,2-benzoxazol-6-yl)oxy]-2-phenylacetic acid Traditional Name: 2-(5-chloro-3-ethyl-7-propyl-indoxazen-6-yl)oxy-2-phenyl-acetic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1OC(C3=CC=CC=C3)C(=O)O)Cl)C(=NO2)CC

Isomeric SMILES

CCCC1=C2C(=CC(=C1OC(C3=CC=CC=C3)C(=O)O)Cl)C(=NO2)CC

InChI

InChI=1S/C20H20ClNO4/c1-3-8-13-18-14(16(4-2)22-26-18)11-15(21)19(13)25-17(20(23)24)12-9-6-5-7-10-12/h5-7,9-11,17H,3-4,8H2,1-2H3,(H,23,24)