methyl 4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzimidazol-1-yl]butanoate

Systemtic Name: methyl 4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzimidazol-1-yl]butanoate Openeye Name: methyl 4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxo-propyl)carbamoyl]benzimidazol-1-yl]butanoate CAS Name: 4-[2-(4-carbamimidoylphenyl)-5-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]-1-benzimidazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-carbamimidoylphenyl)-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzimidazol-1-yl]butanoate Traditional Name: 4-[2-(4-amidinophenyl)-5-[(3-keto-3-methoxy-propyl)carbamoyl]benzimidazol-1-yl]butyric acid methyl ester Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H27N5O5/c1-33-20(30)4-3-13-29-19-10-9-17(24(32)27-12-11-21(31)34-2)14-18(19)28-23(29)16-7-5-15(6-8-16)22(25)26/h5-10,14H,3-4,11-13H2,1-2H3,(H3,25,26)(H,27,32)