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

Systemtic Name: 4-acetyloxy-2-[2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethyl]benzoic acid Openeye Name: 4-acetoxy-2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-ethyl]benzoic acid CAS Name: 4-acetyloxy-2-[2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-2-phenylethyl]benzoic acid IUPAC Name: 4-acetyloxy-2-[2-[(3-carbamimidoylbenzoyl)amino]-2-phenylethyl]benzoic acid Traditional Name: 4-acetoxy-2-[2-[(3-amidinobenzoyl)amino]-2-phenyl-ethyl]benzoic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=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)OC1=CC(=C(C=C1)C(=O)O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H23N3O5/c1-15(29)33-20-10-11-21(25(31)32)19(13-20)14-22(16-6-3-2-4-7-16)28-24(30)18-9-5-8-17(12-18)23(26)27/h2-13,22H,14H2,1H3,(H3,26,27)(H,28,30)(H,31,32)