2-[6-chloranyl-2-(4-phenylmethoxyphenyl)carbonyl-1H-indol-3-yl]propanoic acid

Systemtic Name: 2-[6-chloranyl-2-(4-phenylmethoxyphenyl)carbonyl-1H-indol-3-yl]propanoic acid Openeye Name: 2-[2-(4-benzyloxybenzoyl)-6-chloro-1H-indol-3-yl]propanoic acid CAS Name: 2-[6-chloro-2-[oxo-(4-phenylmethoxyphenyl)methyl]-1H-indol-3-yl]propanoic acid IUPAC Name: 2-[6-chloro-2-(4-phenylmethoxybenzoyl)-1H-indol-3-yl]propanoic acid Traditional Name: 2-[2-(4-benzoxybenzoyl)-6-chloro-1H-indol-3-yl]propionic acid Formula: C25H20ClNO4 MolecularWeight: 433.8836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H20ClNO4/c1-15(25(29)30)22-20-12-9-18(26)13-21(20)27-23(22)24(28)17-7-10-19(11-8-17)31-14-16-5-3-2-4-6-16/h2-13,15,27H,14H2,1H3,(H,29,30)