4-[(cyclohexylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-[(cyclohexylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(cyclohexylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[(cyclohexylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(cyclohexylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[(cyclohexylamino)methyl]-1-(2-fluorobenzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C21H27FN2O2 MolecularWeight: 358.449683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2F)C)C(=O)O)CNC3CCCCC3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2F)C)C(=O)O)CNC3CCCCC3

InChI

InChI=1S/C21H27FN2O2/c1-14-18(12-23-17-9-4-3-5-10-17)20(21(25)26)15(2)24(14)13-16-8-6-7-11-19(16)22/h6-8,11,17,23H,3-5,9-10,12-13H2,1-2H3,(H,25,26)