ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate hydrochloride

Systemtic Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate hydrochloride Openeye Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxo-butanoate hydrochloride CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-cyclopentylamino]-4-oxobutanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-cyclopentylamino]-4-oxobutanoate hydrochloride Traditional Name: 4-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-keto-butyric acid ethyl ester hydrochloride Formula: C27H34ClN5O3 MolecularWeight: 512.04356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C27H33N5O3.ClH/c1-3-35-26(34)15-14-25(33)32(20-6-4-5-7-20)21-12-13-23-22(17-21)30-24(31(23)2)16-18-8-10-19(11-9-18)27(28)29;/h8-13,17,20H,3-7,14-16H2,1-2H3,(H3,28,29);1H