(2S,4aS,7R,8aR)-3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-p-anisyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine Formula: C29H40BrNO4 MolecularWeight: 546.5362

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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

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

InChI

InChI=1S/C29H40BrNO4/c1-19-7-12-23-25(15-19)35-28(16-20-8-10-22(32-4)11-9-20)31(29(23,2)3)14-13-21-17-26(33-5)27(34-6)18-24(21)30/h8-11,17-19,23,25,28H,7,12-16H2,1-6H3/t19-,23-,25-,28+/m1/s1