methyl 2-[7-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]-2-oxidanylidene-3H-benzimidazol-1-yl]ethanoate

Systemtic Name: methyl 2-[7-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]-2-oxidanylidene-3H-benzimidazol-1-yl]ethanoate Openeye Name: methyl 2-[7-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]-2-oxo-3H-benzimidazol-1-yl]acetate CAS Name: 2-[7-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]-2-oxo-3H-benzimidazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-[2-[4-(4-carbamimidoylphenyl)phenyl]ethyl]-2-oxo-3H-benzimidazol-1-yl]acetate Traditional Name: 2-[7-[2-[4-(4-amidinophenyl)phenyl]ethyl]-2-keto-3H-benzimidazol-1-yl]acetic acid methyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2NC1=O)CCC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2NC1=O)CCC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H24N4O3/c1-32-22(30)15-29-23-19(3-2-4-21(23)28-25(29)31)10-7-16-5-8-17(9-6-16)18-11-13-20(14-12-18)24(26)27/h2-6,8-9,11-14H,7,10,15H2,1H3,(H3,26,27)(H,28,31)