4-[[[6-fluoranyl-1-(isoquinolin-3-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[6-fluoranyl-1-(isoquinolin-3-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[6-fluoro-1-(3-isoquinolylmethyl)indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[6-fluoro-1-(3-isoquinolinylmethyl)-7-indolyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[6-fluoro-1-(isoquinolin-3-ylmethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[6-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=C(C=CC3=C2N(C=C3)CC4=CC5=CC=CC=C5C=N4)F)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)C2=C(C=CC3=C2N(C=C3)CC4=CC5=CC=CC=C5C=N4)F)C(=O)O

InChI

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