4-(3-cyanophenoxy)-2-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-(3-cyanophenoxy)-2-[[4-(dimethylcarbamoyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-(3-cyanophenoxy)-2-[[4-(dimethylcarbamoyl)benzoyl]amino]butanoic acid CAS Name: 4-(3-cyanophenoxy)-2-[[[4-[dimethylamino(oxo)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-cyanophenoxy)-2-[[4-(dimethylcarbamoyl)benzoyl]amino]butanoic acid Traditional Name: 4-(3-cyanophenoxy)-2-[[4-(dimethylcarbamoyl)benzoyl]amino]butyric acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CCOC2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C(=O)NC(CCOC2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C21H21N3O5/c1-24(2)20(26)16-8-6-15(7-9-16)19(25)23-18(21(27)28)10-11-29-17-5-3-4-14(12-17)13-22/h3-9,12,18H,10-11H2,1-2H3,(H,23,25)(H,27,28)