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

Systemtic Name: [4-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] ester IUPAC Name: [4-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[[2-(3,4-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=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br)C

Isomeric SMILES

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

InChI

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