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

Systemtic Name: ethyl 4-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]butanoate Openeye Name: ethyl 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butanoate CAS Name: 4-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)butanoate Traditional Name: 4-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butyric acid ethyl ester Formula: C29H32N6O4 MolecularWeight: 528.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC=CC=C1)C(=O)OC2=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)OC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C29H32N6O4/c1-3-38-27(36)10-7-17-35(22-8-5-4-6-9-22)29(37)39-23-15-16-25-24(18-23)33-26(34(25)2)19-32-21-13-11-20(12-14-21)28(30)31/h4-6,8-9,11-16,18,32H,3,7,10,17,19H2,1-2H3,(H3,30,31)