ethyl 2-[4-(N'-phenethylcarbamimidoyl)phenyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(N'-phenethylcarbamimidoyl)phenyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[4-(N'-phenethylcarbamimidoyl)phenyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[4-[amino(phenethylimino)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(N'-phenethylcarbamimidoyl)phenyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[4-(N'-phenethylamidino)phenyl]-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C(=NCCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C(=NCCC4=CC=CC=C4)N

InChI

InChI=1S/C25H24N4O2/c1-2-31-25(30)20-12-13-21-22(16-20)29-24(28-21)19-10-8-18(9-11-19)23(26)27-15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H2,26,27)(H,28,29)