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

Systemtic Name: 4-[[(3-bromophenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methylamino]methyl]-2,5-dimethyl-1-[(4-vinylphenyl)methyl]pyrrole-3-carboxylic acid CAS Name: 4-[[(3-bromophenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)amino]methyl]-2,5-dimethyl-1-(4-vinylbenzyl)pyrrole-3-carboxylic acid Formula: C24H25BrN2O2 MolecularWeight: 453.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)C=C)C)C(=O)O)CNCC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H25BrN2O2/c1-4-18-8-10-19(11-9-18)15-27-16(2)22(23(17(27)3)24(28)29)14-26-13-20-6-5-7-21(25)12-20/h4-12,26H,1,13-15H2,2-3H3,(H,28,29)