4-[[[5-fluoranyl-1-(quinolin-2-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[5-fluoranyl-1-(quinolin-2-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[5-fluoro-1-(2-quinolylmethyl)indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[5-fluoro-1-(2-quinolinylmethyl)-7-indolyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[5-fluoro-1-(quinolin-2-ylmethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[5-fluoro-1-(2-quinolylmethyl)indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid Formula: C27H26FN3O3 MolecularWeight: 459.512043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C2=C3C(=CC(=C2)F)C=CN3CC4=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=C3C(=CC(=C2)F)C=CN3CC4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C27H26FN3O3/c28-21-13-20-11-12-31(16-22-10-9-18-3-1-2-4-24(18)30-22)25(20)23(14-21)26(32)29-15-17-5-7-19(8-6-17)27(33)34/h1-4,9-14,17,19H,5-8,15-16H2,(H,29,32)(H,33,34)