5-(3-chloranyl-4-fluoranyl-phenyl)-1-(phenylmethyl)indole-3-carboxylic acid

Systemtic Name: 5-(3-chloranyl-4-fluoranyl-phenyl)-1-(phenylmethyl)indole-3-carboxylic acid Openeye Name: 1-benzyl-5-(3-chloro-4-fluoro-phenyl)indole-3-carboxylic acid CAS Name: 5-(3-chloro-4-fluorophenyl)-1-(phenylmethyl)-3-indolecarboxylic acid IUPAC Name: 1-benzyl-5-(3-chloro-4-fluorophenyl)indole-3-carboxylic acid Traditional Name: 1-benzyl-5-(3-chloro-4-fluoro-phenyl)indole-3-carboxylic acid Formula: C22H15ClFNO2 MolecularWeight: 379.811403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC(=C(C=C4)F)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC(=C(C=C4)F)Cl)C(=O)O

InChI

InChI=1S/C22H15ClFNO2/c23-19-11-16(6-8-20(19)24)15-7-9-21-17(10-15)18(22(26)27)13-25(21)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,26,27)