(1S)-1-[2-[(2S,4aS,7R,8aR)-4,4,7-trimethyl-3-(phenylmethyl)-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]but-3-en-1-ol

Systemtic Name: (1S)-1-[2-[(2S,4aS,7R,8aR)-4,4,7-trimethyl-3-(phenylmethyl)-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]but-3-en-1-ol Openeye Name: (1S)-1-[2-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]but-3-en-1-ol CAS Name: (1S)-1-[2-[(2S,4aS,7R,8aR)-4,4,7-trimethyl-3-(phenylmethyl)-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]-3-buten-1-ol IUPAC Name: (1S)-1-[2-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]but-3-en-1-ol Traditional Name: (1S)-1-[2-[(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl]phenyl]but-3-en-1-ol Formula: C28H37NO2 MolecularWeight: 419.59888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)OC(N(C2(C)C)CC3=CC=CC=C3)C4=CC=CC=C4C(CC=C)O

Isomeric SMILES

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)CC3=CC=CC=C3)C4=CC=CC=C4[C@H](CC=C)O

InChI

InChI=1S/C28H37NO2/c1-5-11-25(30)22-14-9-10-15-23(22)27-29(19-21-12-7-6-8-13-21)28(3,4)24-17-16-20(2)18-26(24)31-27/h5-10,12-15,20,24-27,30H,1,11,16-19H2,2-4H3/t20-,24-,25+,26-,27+/m1/s1