methyl 3-[2-acetamido-4-(4-carbamimidoyl-4-phenyl-imidazol-2-yl)phenyl]propanoate

Systemtic Name: methyl 3-[2-acetamido-4-(4-carbamimidoyl-4-phenyl-imidazol-2-yl)phenyl]propanoate Openeye Name: methyl 3-[2-acetamido-4-(4-carbamimidoyl-4-phenyl-imidazol-2-yl)phenyl]propanoate CAS Name: 3-[2-acetamido-4-(4-carbamimidoyl-4-phenyl-2-imidazolyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-acetamido-4-(4-carbamimidoyl-4-phenylimidazol-2-yl)phenyl]propanoate Traditional Name: 3-[2-acetamido-4-(4-amidino-4-phenyl-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=CC=C3)C(=N)N)CCC(=O)OC

Isomeric SMILES

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

InChI

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