ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-2H-benzimidazol-1-yl]cyclopropyl]carbonyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-2H-benzimidazol-1-yl]cyclopropyl]carbonyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-2H-benzimidazol-1-yl]cyclopropanecarbonyl]-methyl-amino]acetate CAS Name: 2-[[[1-[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-2H-benzimidazol-1-yl]cyclopropyl]-oxomethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-3-methyl-2H-benzimidazol-1-yl]cyclopropanecarbonyl]-methylamino]acetate Traditional Name: 2-[[1-[2-(4-amidinobenzyl)-3-methyl-2H-benzimidazol-1-yl]cyclopropanecarbonyl]-methyl-amino]acetic acid ethyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C(=O)C1(CC1)N2C(N(C3=CC=CC=C32)C)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CN(C)C(=O)C1(CC1)N2C(N(C3=CC=CC=C32)C)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H31N5O3/c1-4-33-22(31)16-28(2)24(32)25(13-14-25)30-20-8-6-5-7-19(20)29(3)21(30)15-17-9-11-18(12-10-17)23(26)27/h5-12,21H,4,13-16H2,1-3H3,(H3,26,27)