(E)-3-(1,3-benzoxazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-tert-butylphenyl)-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoate Formula: C21H20NO3- MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H21NO3/c1-21(2,3)16-10-8-14(9-11-16)12-15(13-19(23)24)20-22-17-6-4-5-7-18(17)25-20/h4-12H,13H2,1-3H3,(H,23,24)/p-1/b15-12+