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

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoyl-2-chloranyl-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-carbamimidoyl-2-chloro-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoyl-2-chloroanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-carbamimidoyl-2-chloroanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidino-2-chloro-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C28H29ClN6O3 MolecularWeight: 533.02126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN6O3/c1-3-38-26(36)13-14-35(20-7-5-4-6-8-20)28(37)19-10-12-24-23(16-19)33-25(34(24)2)17-32-22-11-9-18(27(30)31)15-21(22)29/h4-12,15-16,32H,3,13-14,17H2,1-2H3,(H3,30,31)