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

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

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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)C(C)C

Isomeric SMILES

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

InChI

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