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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]pyrrole-3-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-[(4-phenylbutan-2-ylamino)methyl]pyrrole-3-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-2,5-dimethyl-4-[[(1-methyl-3-phenyl-propyl)amino]methyl]pyrrole-3-carboxylic acid Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C(=O)O)CNC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)F)C)C(=O)O)CNC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H29FN2O2/c1-17(9-10-20-7-5-4-6-8-20)27-15-23-18(2)28(19(3)24(23)25(29)30)16-21-11-13-22(26)14-12-21/h4-8,11-14,17,27H,9-10,15-16H2,1-3H3,(H,29,30)