ethyl 3-[[2-[[(4-carbamimidoyl-2-ethyl-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoyl-2-ethyl-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-carbamimidoyl-2-ethyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoyl-2-ethylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-carbamimidoyl-2-ethylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidino-2-ethyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C30H34N6O3 MolecularWeight: 526.62936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=N)N)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=N)N)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C30H34N6O3/c1-4-20-17-21(29(31)32)11-13-24(20)33-19-27-34-25-18-22(12-14-26(25)35(27)3)30(38)36(16-15-28(37)39-5-2)23-9-7-6-8-10-23/h6-14,17-18,33H,4-5,15-16,19H2,1-3H3,(H3,31,32)