2-[[6-chloranyl-1-(diphenylmethyl)-5-fluoranyl-indol-3-yl]methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[6-chloranyl-1-(diphenylmethyl)-5-fluoranyl-indol-3-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[(1-benzhydryl-6-chloro-5-fluoro-indol-3-yl)methyl]cyclopropanecarboxylic acid CAS Name: 2-[[6-chloro-1-(diphenylmethyl)-5-fluoro-3-indolyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[(1-benzhydryl-6-chloro-5-fluoroindol-3-yl)methyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[(1-benzhydryl-6-chloro-5-fluoro-indol-3-yl)methyl]cyclopropanecarboxylic acid Formula: C26H21ClFNO2 MolecularWeight: 433.901843

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)CC2=CN(C3=CC(=C(C=C32)F)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(C1C(=O)O)CC2=CN(C3=CC(=C(C=C32)F)Cl)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21ClFNO2/c27-22-14-24-20(13-23(22)28)19(11-18-12-21(18)26(30)31)15-29(24)25(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18,21,25H,11-12H2,(H,30,31)