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

Systemtic Name: methyl 3-carbamimidoyl-4-[5-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[5-[(3-ethoxy-3-oxo-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoate CAS Name: 3-carbamimidoyl-4-[5-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-1-methyl-2-benzimidazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[5-[(3-ethoxy-3-oxopropyl)carbamoyl]-1-methylbenzimidazol-2-yl]benzoate Traditional Name: 3-amidino-4-[5-[(3-ethoxy-3-keto-propyl)carbamoyl]-1-methyl-benzimidazol-2-yl]benzoic acid methyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N)C

InChI

InChI=1S/C23H25N5O5/c1-4-33-19(29)9-10-26-22(30)13-6-8-18-17(12-13)27-21(28(18)2)15-7-5-14(23(31)32-3)11-16(15)20(24)25/h5-8,11-12H,4,9-10H2,1-3H3,(H3,24,25)(H,26,30)