(2S,4aS,7R,8aR)-3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine

Systemtic Name: (2S,4aS,7R,8aR)-3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine Openeye Name: (2S,4aS,7R,8aR)-3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine CAS Name: (2S,4aS,7R,8aR)-3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine IUPAC Name: (2S,4aS,7R,8aR)-3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine Traditional Name: (2S,4aS,7R,8aR)-3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4,4,7-trimethyl-2-veratryl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine Formula: C30H42BrNO5 MolecularWeight: 576.56218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)OC(N(C2(C)C)CCC3=CC(=C(C=C3Br)OC)OC)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)CCC3=CC(=C(C=C3Br)OC)OC)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C30H42BrNO5/c1-19-8-10-22-25(14-19)37-29(16-20-9-11-24(33-4)26(15-20)34-5)32(30(22,2)3)13-12-21-17-27(35-6)28(36-7)18-23(21)31/h9,11,15,17-19,22,25,29H,8,10,12-14,16H2,1-7H3/t19-,22-,25-,29+/m1/s1