[4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-(1,3-benzoxazol-2-yl)benzoate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-(1,3-benzoxazol-2-yl)benzoate Openeye Name: [4-(1,1,3,3-tetramethylbutyl)phenyl] 4-(1,3-benzoxazol-2-yl)benzoate CAS Name: 4-(1,3-benzoxazol-2-yl)benzoic acid [4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] 4-(1,3-benzoxazol-2-yl)benzoate Traditional Name: 4-(1,3-benzoxazol-2-yl)benzoic acid [4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C28H29NO3/c1-27(2,3)18-28(4,5)21-14-16-22(17-15-21)31-26(30)20-12-10-19(11-13-20)25-29-23-8-6-7-9-24(23)32-25/h6-17H,18H2,1-5H3