[4-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] ester IUPAC Name: [4-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] ester Formula: C29H21BrN2O3 MolecularWeight: 525.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br)C

InChI

InChI=1S/C29H21BrN2O3/c1-18-12-19(2)14-22(13-18)28-32-26-16-24(8-11-27(26)35-28)31-17-20-6-9-25(10-7-20)34-29(33)21-4-3-5-23(30)15-21/h3-17H,1-2H3