ethyl 2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-propyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-propyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[4-(N'-isopropylcarbamimidoyl)phenyl]-1-propyl-benzimidazole-5-carboxylate CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]phenyl]-1-propyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-propylbenzimidazole-5-carboxylate Traditional Name: 2-[4-(N'-isopropylamidino)phenyl]-1-propyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3=CC=C(C=C3)C(=NC(C)C)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C3=CC=C(C=C3)C(=NC(C)C)N

InChI

InChI=1S/C23H28N4O2/c1-5-13-27-20-12-11-18(23(28)29-6-2)14-19(20)26-22(27)17-9-7-16(8-10-17)21(24)25-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H2,24,25)