methyl 2-acetamido-2-methyl-3-[4-[[N'-(phenylcarbonyl)carbamimidoyl]amino]phenyl]propanoate

Systemtic Name: methyl 2-acetamido-2-methyl-3-[4-[[N'-(phenylcarbonyl)carbamimidoyl]amino]phenyl]propanoate Openeye Name: methyl 2-acetamido-3-[4-[(N'-benzoylcarbamimidoyl)amino]phenyl]-2-methyl-propanoate CAS Name: 2-acetamido-3-[4-[[amino(benzoylimino)methyl]amino]phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[4-[(N'-benzoylcarbamimidoyl)amino]phenyl]-2-methylpropanoate Traditional Name: 2-acetamido-3-[4-[(N'-benzoylamidino)amino]phenyl]-2-methyl-propionic acid methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CC1=CC=C(C=C1)NC(=NC(=O)C2=CC=CC=C2)N)C(=O)OC

Isomeric SMILES

CC(=O)NC(C)(CC1=CC=C(C=C1)NC(=NC(=O)C2=CC=CC=C2)N)C(=O)OC

InChI

InChI=1S/C21H24N4O4/c1-14(26)25-21(2,19(28)29-3)13-15-9-11-17(12-10-15)23-20(22)24-18(27)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,25,26)(H3,22,23,24,27)