2-[2-[4-[N-(2-azanylethyl)-N-cyclohexylcarbonyl-carbamimidoyl]phenyl]ethyl]-1-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-[4-[N-(2-azanylethyl)-N-cyclohexylcarbonyl-carbamimidoyl]phenyl]ethyl]-1-methyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-[4-[N-(2-aminoethyl)-N-(cyclohexanecarbonyl)carbamimidoyl]phenyl]ethyl]-1-methyl-benzimidazole-5-carboxylic acid CAS Name: 2-[2-[4-[[2-aminoethyl-[cyclohexyl(oxo)methyl]amino]-iminomethyl]phenyl]ethyl]-1-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-[4-[N-(2-aminoethyl)-N-(cyclohexanecarbonyl)carbamimidoyl]phenyl]ethyl]-1-methylbenzimidazole-5-carboxylic acid Traditional Name: 2-[2-[4-[N-(2-aminoethyl)-N-(cyclohexanecarbonyl)amidino]phenyl]ethyl]-1-methyl-benzimidazole-5-carboxylic acid Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)O)N=C1CCC3=CC=C(C=C3)C(=N)N(CCN)C(=O)C4CCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)O)N=C1CCC3=CC=C(C=C3)C(=N)N(CCN)C(=O)C4CCCCC4

InChI

InChI=1S/C27H33N5O3/c1-31-23-13-12-21(27(34)35)17-22(23)30-24(31)14-9-18-7-10-19(11-8-18)25(29)32(16-15-28)26(33)20-5-3-2-4-6-20/h7-8,10-13,17,20,29H,2-6,9,14-16,28H2,1H3,(H,34,35)