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

Systemtic Name: ethyl 4-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate Openeye Name: ethyl 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoate CAS Name: 4-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoate Traditional Name: 4-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid ethyl ester Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C29H32N6O3/c1-3-38-27(36)10-7-17-35(23-8-5-4-6-9-23)29(37)21-13-16-25-24(18-21)33-26(34(25)2)19-32-22-14-11-20(12-15-22)28(30)31/h4-6,8-9,11-16,18,32H,3,7,10,17,19H2,1-2H3,(H3,30,31)