methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-3-carboxylate

Systemtic Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-3-carboxylate Openeye Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-3-carboxylate CAS Name: 1-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]pyrrolidine-3-carboxylate Traditional Name: 1-[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(C3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(C3)C(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H23N5O3/c1-26-18-8-7-15(21(28)27-10-9-16(12-27)22(29)30-2)11-17(18)25-20(26)14-5-3-13(4-6-14)19(23)24/h3-8,11,16H,9-10,12H2,1-2H3,(H3,23,24)