ethyl 5-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]pentanoate

Systemtic Name: ethyl 5-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexylcarbonylamino)benzimidazol-1-yl]pentanoate Openeye Name: ethyl 5-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]pentanoate CAS Name: 5-[2-[(4-carbamimidoylphenyl)methyl]-5-[[cyclohexyl(oxo)methyl]amino]-1-benzimidazolyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-[(4-carbamimidoylphenyl)methyl]-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]pentanoate Traditional Name: 5-[2-(4-amidinobenzyl)-5-(cyclohexanecarbonylamino)benzimidazol-1-yl]valeric acid ethyl ester Formula: C29H37N5O3 MolecularWeight: 503.63578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CCCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H37N5O3/c1-2-37-27(35)10-6-7-17-34-25-16-15-23(32-29(36)22-8-4-3-5-9-22)19-24(25)33-26(34)18-20-11-13-21(14-12-20)28(30)31/h11-16,19,22H,2-10,17-18H2,1H3,(H3,30,31)(H,32,36)