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

Systemtic Name: methyl 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate CAS Name: 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-acetamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate Traditional Name: 3-[2-acetamido-4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]phenyl]propionic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OC

InChI

InChI=1S/C22H23N5O3/c1-13(28)26-18-11-17(8-5-14(18)9-10-20(29)30-2)22-25-12-19(27-22)15-3-6-16(7-4-15)21(23)24/h3-8,11-12H,9-10H2,1-2H3,(H3,23,24)(H,25,27)(H,26,28)