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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNC3CCCC3)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=C2C)C(=O)O)CNC3CCCC3)C

InChI

InChI=1S/C21H28N2O2/c1-14-8-4-5-9-17(14)13-23-15(2)19(20(16(23)3)21(24)25)12-22-18-10-6-7-11-18/h4-5,8-9,18,22H,6-7,10-13H2,1-3H3,(H,24,25)