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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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