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

Systemtic Name: methyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxo-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoate CAS Name: 3-carbamimidoyl-4-[5-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]-1-methyl-2-benzimidazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[5-[(3-methoxy-3-oxopropyl)carbamoyl]-1-methylbenzimidazol-2-yl]benzoate Traditional Name: 3-amidino-4-[5-[(3-keto-3-methoxy-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoic acid methyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C22H23N5O5/c1-27-17-7-5-12(21(29)25-9-8-18(28)31-2)11-16(17)26-20(27)14-6-4-13(22(30)32-3)10-15(14)19(23)24/h4-7,10-11H,8-9H2,1-3H3,(H3,23,24)(H,25,29)