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

Systemtic Name: 4-[(cyclooctylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(cyclooctylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 4-[(cyclooctylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[(cyclooctylamino)methyl]-1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[(cyclooctylamino)methyl]-1-(4-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=C(C=C2)F)C)C(=O)O)CNC3CCCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C(=O)O)CNC3CCCCCCC3

InChI

InChI=1S/C23H31FN2O2/c1-16-21(14-25-20-8-6-4-3-5-7-9-20)22(23(27)28)17(2)26(16)15-18-10-12-19(24)13-11-18/h10-13,20,25H,3-9,14-15H2,1-2H3,(H,27,28)