3-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid

Systemtic Name: 3-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid Openeye Name: 3-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid CAS Name: 3-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid IUPAC Name: 3-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]methylamino]propanoic acid Traditional Name: 3-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]methylamino]propionic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)CNCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)CNCCC(=O)O

InChI

InChI=1S/C21H24N2O3/c1-21(2,3)16-7-5-15(6-8-16)20-23-17-9-4-14(12-18(17)26-20)13-22-11-10-19(24)25/h4-9,12,22H,10-11,13H2,1-3H3,(H,24,25)