4-(3-cyanophenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-(3-cyanophenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-(3-cyanophenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]butanoic acid CAS Name: 4-(3-cyanophenoxy)-3-[[[4-[dimethylamino(imino)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-cyanophenoxy)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]butanoic acid Traditional Name: 4-(3-cyanophenoxy)-3-[[4-(N,N-dimethylamidino)benzoyl]amino]butyric acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C#N

Isomeric SMILES

CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)COC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H22N4O4/c1-25(2)20(23)15-6-8-16(9-7-15)21(28)24-17(11-19(26)27)13-29-18-5-3-4-14(10-18)12-22/h3-10,17,23H,11,13H2,1-2H3,(H,24,28)(H,26,27)