2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-ethanoyl-benzoate

Systemtic Name: 2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-ethanoyl-benzoate Openeye Name: 4-acetyl-2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-ethyl]benzoate CAS Name: 4-acetyl-2-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylethyl]benzoate IUPAC Name: 4-acetyl-2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenylethyl]benzoate Traditional Name: 4-acetyl-2-[2-[(3-amidinobenzoyl)amino]-2-phenyl-ethyl]benzoate Formula: C25H22N3O4- MolecularWeight: 428.45988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C(=O)[O-])CC(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C(=O)[O-])CC(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H23N3O4/c1-15(29)17-10-11-21(25(31)32)20(12-17)14-22(16-6-3-2-4-7-16)28-24(30)19-9-5-8-18(13-19)23(26)27/h2-13,22H,14H2,1H3,(H3,26,27)(H,28,30)(H,31,32)/p-1