4-[[[5-fluoranyl-1-(isoquinolin-3-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[5-fluoranyl-1-(isoquinolin-3-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[5-fluoro-1-(3-isoquinolylmethyl)indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[5-fluoro-1-(3-isoquinolinylmethyl)-7-indolyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[5-fluoro-1-(isoquinolin-3-ylmethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[5-fluoro-1-(3-isoquinolylmethyl)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=CC5=CC=CC=C5C=N4)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=C3C(=CC(=C2)F)C=CN3CC4=CC5=CC=CC=C5C=N4)C(=O)O

InChI

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