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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)-methyl-amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoyl-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetate CAS Name: 2-[[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoyl-N-methylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetate Traditional Name: 2-[[2-[(4-amidino-N-methyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid ethyl ester Formula: C27H29N7O3 MolecularWeight: 499.56426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN(C)C4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CN(C)C4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H29N7O3/c1-4-37-25(35)17-34(23-7-5-6-14-30-23)27(36)19-10-13-22-21(15-19)31-24(33(22)3)16-32(2)20-11-8-18(9-12-20)26(28)29/h5-15H,4,16-17H2,1-3H3,(H3,28,29)