N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodanyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodanyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodo-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodobenzamide Traditional Name: N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-iodo-benzamide Formula: C22H17IN2O4 MolecularWeight: 500.28585

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CC=C4)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CC=C4)I)OC

InChI

InChI=1S/C22H17IN2O4/c1-27-19-8-6-14(11-20(19)28-2)22-25-17-12-16(7-9-18(17)29-22)24-21(26)13-4-3-5-15(23)10-13/h3-12H,1-2H3,(H,24,26)