ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylamino]-2-phenyl-ethanoate hydrochloride

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylamino]-2-phenyl-ethanoate hydrochloride Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]amino]-2-phenyl-acetate hydrochloride CAS Name: 2-[[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]-2-phenylacetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]amino]-2-phenylacetate hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2-phenyl-acetic acid ethyl ester hydrochloride Formula: C27H28ClN5O3 MolecularWeight: 505.99592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C27H27N5O3.ClH/c1-3-35-27(34)24(18-7-5-4-6-8-18)31-26(33)20-13-14-22-21(16-20)30-23(32(22)2)15-17-9-11-19(12-10-17)25(28)29;/h4-14,16,24H,3,15H2,1-2H3,(H3,28,29)(H,31,33);1H