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

Systemtic Name: ethyl 1-(phenylmethyl)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-benzyl-2-[4-(N'-isopropylcarbamimidoyl)phenyl]benzimidazole-5-carboxylate CAS Name: 2-[4-[amino(propan-2-ylimino)methyl]phenyl]-1-(phenylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]benzimidazole-5-carboxylate Traditional Name: 1-benzyl-2-[4-(N'-isopropylamidino)phenyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C27H28N4O2 MolecularWeight: 440.53682

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=NC(C)C)N)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-4-33-27(32)22-14-15-24-23(16-22)30-26(31(24)17-19-8-6-5-7-9-19)21-12-10-20(11-13-21)25(28)29-18(2)3/h5-16,18H,4,17H2,1-3H3,(H2,28,29)