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

Systemtic Name: 4-[(cyclopentylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[(cyclopentylamino)methyl]-2,5-dimethyl-1-(m-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-[(cyclopentylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[(cyclopentylamino)methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-[(cyclopentylamino)methyl]-2,5-dimethyl-1-(3-methylbenzyl)pyrrole-3-carboxylic acid Formula: C21H28N2O2 MolecularWeight: 340.45922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=C(C(=C2C)C(=O)O)CNC3CCCC3)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=C(C(=C2C)C(=O)O)CNC3CCCC3)C

InChI

InChI=1S/C21H28N2O2/c1-14-7-6-8-17(11-14)13-23-15(2)19(20(16(23)3)21(24)25)12-22-18-9-4-5-10-18/h6-8,11,18,22H,4-5,9-10,12-13H2,1-3H3,(H,24,25)