4-azanyl-3-(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)butanoic acid

Systemtic Name: 4-azanyl-3-(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)butanoic acid Openeye Name: 4-amino-3-(4-chloro-2,3,5,6-tetradeuterio-phenyl)butanoic acid CAS Name: 4-amino-3-(4-chloro-2,3,5,6-tetradeuteriophenyl)butanoic acid IUPAC Name: 4-amino-3-(4-chloro-2,3,5,6-tetradeuteriophenyl)butanoic acid Traditional Name: 4-amino-3-(4-chloro-2,3,5,6-tetradeuterio-phenyl)butyric acid Formula: C10H12ClNO2 MolecularWeight: 217.685427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)CN)Cl

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C(CC(=O)O)CN)[2H])[2H])Cl)[2H]

InChI

InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/i1D,2D,3D,4D