8-[2-[[1-(4-fluoranyl-3-methyl-phenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

Systemtic Name: 8-[2-[[1-(4-fluoranyl-3-methyl-phenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one Openeye Name: 6-benzyloxy-8-[2-[[2-(4-fluoro-3-methyl-phenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 8-[2-[[1-(4-fluoro-3-methylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one IUPAC Name: 8-[2-[[1-(4-fluoro-3-methylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one Traditional Name: 6-benzoxy-8-[2-[[2-(4-fluoro-3-methyl-phenyl)-1,1-dimethyl-ethyl]amino]-1-hydroxy-ethyl]-4H-1,4-benzoxazin-3-one Formula: C28H31FN2O4 MolecularWeight: 478.555143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(C)(C)NCC(C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)CC(C)(C)NCC(C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4)O)F

InChI

InChI=1S/C28H31FN2O4/c1-18-11-20(9-10-23(18)29)14-28(2,3)30-15-25(32)22-12-21(34-16-19-7-5-4-6-8-19)13-24-27(22)35-17-26(33)31-24/h4-13,25,30,32H,14-17H2,1-3H3,(H,31,33)