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

Systemtic Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-(4-phenylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-(4-phenylphenyl)pyrrole-3-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-(4-phenylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-carbamimidoylphenyl)methyl]-4-(4-phenylphenyl)pyrrole-3-carboxylate Traditional Name: 1-(3-amidinobenzyl)-4-(4-phenylphenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CN(C=C1C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H25N3O2/c1-2-32-27(31)25-18-30(16-19-7-6-10-23(15-19)26(28)29)17-24(25)22-13-11-21(12-14-22)20-8-4-3-5-9-20/h3-15,17-18H,2,16H2,1H3,(H3,28,29)