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

Systemtic Name: 2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-propan-2-yl-benzoate Openeye Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-ethyl]-4-isopropyl-benzoate CAS Name: 2-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylethyl]-4-propan-2-ylbenzoate IUPAC Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenylethyl]-4-propan-2-ylbenzoate Traditional Name: 2-[2-[(3-amidinobenzoyl)amino]-2-phenyl-ethyl]-4-isopropyl-benzoate Formula: C26H26N3O3- MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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(C)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/C26H27N3O3/c1-16(2)18-11-12-22(26(31)32)21(13-18)15-23(17-7-4-3-5-8-17)29-25(30)20-10-6-9-19(14-20)24(27)28/h3-14,16,23H,15H2,1-2H3,(H3,27,28)(H,29,30)(H,31,32)/p-1