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

Systemtic Name: 4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-(p-tolylmethyl)pyrrole-3-carboxylic acid CAS Name: 4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)amino]methyl]-2,5-dimethyl-1-(4-methylbenzyl)pyrrole-3-carboxylic acid Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNCC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=C2C)C(=O)O)CNCC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C23H25BrN2O2/c1-15-7-9-18(10-8-15)14-26-16(2)21(22(17(26)3)23(27)28)13-25-12-19-5-4-6-20(24)11-19/h4-11,25H,12-14H2,1-3H3,(H,27,28)