2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-(dimethylamino)benzoic acid

Systemtic Name: 2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]-4-(dimethylamino)benzoic acid Openeye Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-ethyl]-4-(dimethylamino)benzoic acid CAS Name: 2-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylethyl]-4-(dimethylamino)benzoic acid IUPAC Name: 2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenylethyl]-4-(dimethylamino)benzoic acid Traditional Name: 2-[2-[(3-amidinobenzoyl)amino]-2-phenyl-ethyl]-4-(dimethylamino)benzoic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CN(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

CN(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/C25H26N4O3/c1-29(2)20-11-12-21(25(31)32)19(14-20)15-22(16-7-4-3-5-8-16)28-24(30)18-10-6-9-17(13-18)23(26)27/h3-14,22H,15H2,1-2H3,(H3,26,27)(H,28,30)(H,31,32)