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

Systemtic Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpyrrolidine-3-carboxylic acid Openeye Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]pyrrolidine-3-carboxylic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-25-17-7-6-14(20(27)26-9-8-15(11-26)21(28)29)10-16(17)24-19(25)13-4-2-12(3-5-13)18(22)23/h2-7,10,15H,8-9,11H2,1H3,(H3,22,23)(H,28,29)