methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCCC3C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCCC3C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H23N5O3/c1-26-17-10-9-15(21(28)27-11-3-4-18(27)22(29)30-2)12-16(17)25-20(26)14-7-5-13(6-8-14)19(23)24/h5-10,12,18H,3-4,11H2,1-2H3,(H3,23,24)