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

Systemtic Name: ethyl 3-[[2-[[butyl-(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(N-butyl-4-carbamimidoyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(N-butyl-4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(N-butyl-4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidino-N-butyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C32H38N6O3 MolecularWeight: 554.68252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC2=C(N1C)C=CC(=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCCCN(CC1=NC2=C(N1C)C=CC(=C2)C(=O)N(CCC(=O)OCC)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C32H38N6O3/c1-4-6-19-37(25-15-12-23(13-16-25)31(33)34)22-29-35-27-21-24(14-17-28(27)36(29)3)32(40)38(20-18-30(39)41-5-2)26-10-8-7-9-11-26/h7-17,21H,4-6,18-20,22H2,1-3H3,(H3,33,34)