ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]carbonyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropyl]carbonyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]cyclopropanecarbonyl]-methyl-amino]acetate CAS Name: 2-[[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]cyclopropyl]-oxomethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]cyclopropanecarbonyl]-methylamino]acetate Traditional Name: 2-[[1-[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]cyclopropanecarbonyl]-methyl-amino]acetic acid ethyl ester Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C(=O)C1(CC1)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CN(C)C(=O)C1(CC1)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C25H29N5O3/c1-4-33-22(31)15-29(2)24(32)25(11-12-25)18-9-10-20-19(14-18)28-21(30(20)3)13-16-5-7-17(8-6-16)23(26)27/h5-10,14H,4,11-13,15H2,1-3H3,(H3,26,27)