ethyl 4-(4-bromophenyl)-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 4-(4-bromophenyl)-1-[(3-carbamimidoylphenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-1-[(3-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-(4-bromophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H20BrN3O2 MolecularWeight: 426.3064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)Br)CC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)Br)CC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H20BrN3O2/c1-2-27-21(26)19-13-25(11-14-4-3-5-16(10-14)20(23)24)12-18(19)15-6-8-17(22)9-7-15/h3-10,12-13H,2,11H2,1H3,(H3,23,24)