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

Systemtic Name: ethyl 1-[(4-carbamimidoylphenyl)methyl]-4-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-benzyl-1-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate CAS Name: 1-[(4-carbamimidoylphenyl)methyl]-4-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(4-carbamimidoylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 1-(4-amidinobenzyl)-4-benzyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CN(C=C1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N3O2/c1-2-27-22(26)20-15-25(13-17-8-10-18(11-9-17)21(23)24)14-19(20)12-16-6-4-3-5-7-16/h3-11,14-15H,2,12-13H2,1H3,(H3,23,24)