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

Systemtic Name: ethyl 2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[4-(N'-isopropylcarbamimidoyl)phenyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]phenyl]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[4-(N'-isopropylamidino)phenyl]-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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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(=NC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-4-26-20(25)15-9-10-16-17(11-15)24-19(23-16)14-7-5-13(6-8-14)18(21)22-12(2)3/h5-12H,4H2,1-3H3,(H2,21,22)(H,23,24)