4-(5-bromanylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,4-benzoxazin-3-one

Systemtic Name: 4-(5-bromanylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,4-benzoxazin-3-one Openeye Name: 4-(5-bromopentyl)-2-(3,4,5-trimethoxyphenyl)-1,4-benzoxazin-3-one CAS Name: 4-(5-bromopentyl)-2-(3,4,5-trimethoxyphenyl)-1,4-benzoxazin-3-one IUPAC Name: 4-(5-bromopentyl)-2-(3,4,5-trimethoxyphenyl)-1,4-benzoxazin-3-one Traditional Name: 4-(5-bromopentyl)-2-(3,4,5-trimethoxyphenyl)-1,4-benzoxazin-3-one Formula: C22H26BrNO5 MolecularWeight: 464.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=O)N(C3=CC=CC=C3O2)CCCCCBr

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=O)N(C3=CC=CC=C3O2)CCCCCBr

InChI

InChI=1S/C22H26BrNO5/c1-26-18-13-15(14-19(27-2)21(18)28-3)20-22(25)24(12-8-4-7-11-23)16-9-5-6-10-17(16)29-20/h5-6,9-10,13-14,20H,4,7-8,11-12H2,1-3H3