(2S)-3-[4-(2-cyanophenyl)phenyl]-2-(diethylcarbamoylamino)propanoic acid

Systemtic Name: (2S)-3-[4-(2-cyanophenyl)phenyl]-2-(diethylcarbamoylamino)propanoic acid Openeye Name: (2S)-3-[4-(2-cyanophenyl)phenyl]-2-(diethylcarbamoylamino)propanoic acid CAS Name: (2S)-3-[4-(2-cyanophenyl)phenyl]-2-[[diethylamino(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(2-cyanophenyl)phenyl]-2-(diethylcarbamoylamino)propanoic acid Traditional Name: (2S)-3-[4-(2-cyanophenyl)phenyl]-2-(diethylcarbamoylamino)propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C21H23N3O3/c1-3-24(4-2)21(27)23-19(20(25)26)13-15-9-11-16(12-10-15)18-8-6-5-7-17(18)14-22/h5-12,19H,3-4,13H2,1-2H3,(H,23,27)(H,25,26)/t19-/m0/s1