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

Systemtic Name: 4-[(cyclooctylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(cyclooctylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[(cyclooctylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(cyclooctylamino)methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[(cyclooctylamino)methyl]-1-(2-fluorobenzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C23H31FN2O2 MolecularWeight: 386.502843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2F)C)C(=O)O)CNC3CCCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2F)C)C(=O)O)CNC3CCCCCCC3

InChI

InChI=1S/C23H31FN2O2/c1-16-20(14-25-19-11-6-4-3-5-7-12-19)22(23(27)28)17(2)26(16)15-18-10-8-9-13-21(18)24/h8-10,13,19,25H,3-7,11-12,14-15H2,1-2H3,(H,27,28)