methyl 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate

Systemtic Name: methyl 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate CAS Name: 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-benzamido-phenyl]propionic acid methyl ester Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N5O3/c1-35-24(33)14-13-17-9-12-21(15-22(17)32-27(34)20-5-3-2-4-6-20)26-30-16-23(31-26)18-7-10-19(11-8-18)25(28)29/h2-12,15-16H,13-14H2,1H3,(H3,28,29)(H,30,31)(H,32,34)