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

Systemtic Name: 4-[(cycloheptylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(cycloheptylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[(cycloheptylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(cycloheptylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[(cycloheptylamino)methyl]-1-(4-fluorobenzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C22H29FN2O2 MolecularWeight: 372.476263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C(=O)O)CNC3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C(=O)O)CNC3CCCCCC3

InChI

InChI=1S/C22H29FN2O2/c1-15-20(13-24-19-7-5-3-4-6-8-19)21(22(26)27)16(2)25(15)14-17-9-11-18(23)12-10-17/h9-12,19,24H,3-8,13-14H2,1-2H3,(H,26,27)