ethyl 2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylcyclohexyl]ethanoate

Systemtic Name: ethyl 2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylcyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]cyclohexyl]acetate CAS Name: 2-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]cyclohexyl]acetate Traditional Name: 2-[1-[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]cyclohexyl]acetic acid ethyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H32N4O3/c1-3-34-24(32)17-27(13-5-4-6-14-27)25(33)20-11-12-22-21(16-20)30-23(31(22)2)15-18-7-9-19(10-8-18)26(28)29/h7-12,16H,3-6,13-15,17H2,1-2H3,(H3,28,29)